SCHEMBL1789658

SCHEMBL1789658

CC(=O)Oc1ccccc1C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.60
ATM Q13315 1/20 0.60
PTGS2 P35354 5/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 2/20 0.53
TSHR P16473 2/20 0.53
ESR1 P03372 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
HMGB1 P09429 1/20 0.53
HPGD P15428 1/20 0.53
GGT1 P19440 1/20 0.53
PTGS1 P23219 1/20 0.53
BLM P54132 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
BCHE P06276 1/20 0.53
GAA P10253 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27853484 0.86 TDP1 (0.72) TDP1ATMKDM4EALDH1A1HSD17B10
SCHEMBL47807 0.86 TDP1 (0.62) TDP1ATMKDM4EALDH1A1HSD17B10
SCHEMBL30134334 0.86 TDP1 (0.62) TDP1ATMKDM4EALDH1A1HSD17B10
SCHEMBL9945642 0.85 PTGS2 (0.50) TDP1ATMPTGS2KDM4EALDH1A1
SCHEMBL47808 0.84 TDP1 (0.65) TDP1ATMKDM4EALDH1A1TSHR
SCHEMBL31304747 0.84 TDP1 (0.65) TDP1ATMKDM4EALDH1A1TSHR
SCHEMBL6403938 0.84 TDP1 (0.60) TDP1ATMKDM4EALDH1A1HSD17B10
Iodide SCHEMBL4843567 0.84 KDM4E (0.46) TDP1ATMPTGS2KDM4EALDH1A1
SCHEMBL10584699 0.83 TDP1 (0.54) TDP1ATMKDM4EALDH1A1HSD17B10
SCHEMBL33914 0.83 TDP1 (0.69) TDP1ATMPTGS2KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689848-B Fragrance composition 奇华顿股份有限公司 2022-12-23 CN claimed
CN-1893910-A Cyclic siloxane compositions for active ingredient release GEN ELECTRIC (US) 2007-01-10 CN claimed
US-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-03-09 US disclosed
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 US disclosed
US-11358940-B2 K-Ras modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-14 US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 US disclosed
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 US disclosed
US-20200339551-A1 ACETAL COMPOUNDS AND THERAPEUTIC USES THEREOF CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2020-10-29 US disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 US disclosed
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-01-12 US disclosed
US-20110123871-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMCIAL (JP) 2011-05-26 US disclosed
US-7888376-B2 Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
CN-101960662-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery MITSUBISHI CHEM CORP 2011-01-26 CN disclosed
EP-2249426-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY Mitsubishi Chemical Corporation (JP) 2010-11-10 EP disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
CN-1277886-C Waveguide tube and composition SIPRAY CO (US) 2006-10-04 CN disclosed
CN-1399439-A Waveguide tube and composition SIPRAY CO (US) 2003-02-26 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 TDP1 4779/4885ATM 2866/4885PTGS2 1588/4885
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 TDP1 2067/4885ATM 2750/4885PTGS2 1486/4885
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 TDP1 4690/4885ATM 3685/4885PTGS2 2597/4885
US-20200339551-A1 ACETAL COMPOUNDS AND THERAPEUTIC USES THEREOF PYGL, GYS2, AADAC TDP1 4686/4885ATM 2218/4885PTGS2 1863/4885
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP TDP1 1598/4885ATM 2941/4885PTGS2 2438/4885
US-11358940-B2 K-Ras modulators KRAS, HRAS, NRAS TDP1 4647/4885ATM 1307/4885PTGS2 1794/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK TDP1 945/4885ATM 3458/4885PTGS2 1052/4885
US-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF TH, CYP4X1, CYP4B1 TDP1 1692/4885ATM 1578/4885PTGS2 3004/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 TDP1 2067/4885ATM 2750/4885PTGS2 1486/4885
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS NMT1, MLEC, EPN1 TDP1 2121/4885ATM 4339/4885PTGS2 2399/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP TDP1 1598/4885ATM 2941/4885PTGS2 2438/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.