SCHEMBL11885

SCHEMBL11885

COc1cc(C)cc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
ACHE P22303 4/20 0.44
CYP3A4 P08684 2/20 0.41
NQO2 P16083 1/20 0.41
PTPN1 P18031 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
NFE2L2 Q16236 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
ELANE P08246 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL168353 0.84 ALDH1A1 (0.69) ALDH1A1CYP3A4NQO2TAAR1CYP1A1
SCHEMBL186502 0.84 ALDH1A1 (0.59) ALDH1A1CYP3A4NQO2TAAR1CYP1A1
Methane SCHEMBL28126699 0.81 ALDH1A1 (0.56) ALDH1A1CYP3A4NQO2TAAR1CYP1A1
SCHEMBL145855 0.81 ALDH1A1 (0.62) ALDH1A1ACHECYP3A4PTPN1CYP1A1
SCHEMBL12501 0.81 ALDH1A1 (0.73) ALDH1A1ACHECYP3A4NQO2PTPN1
SCHEMBL29587173 0.78 ALDH1A1 (0.59) ALDH1A1ACHECYP3A4PTPN1CYP1A1
SCHEMBL13316887 0.78 ALDH1A1 (0.45) ALDH1A1ACHECYP3A4FFAR4TSHR
SCHEMBL622877 0.76 ACHE (0.34) ALDH1A1ACHECYP3A4MAPTHPGD
SCHEMBL7234709 0.75 ALDH1A1 (0.55) ALDH1A1CYP3A4NQO2TAAR1CYP1A1
SCHEMBL256791 0.75 NQO1 (0.42) ALDH1A1CYP3A4MAPTHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122060008-A Indazole alkaloid derivative and preparation method and application thereof 江西师范大学 2026-05-19 CN claimed
CN-122060008-A Indazole alkaloid derivative and preparation method and application thereof 江西师范大学 2026-05-19 CN disclosed
EP-4400172-A2 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2024-07-17 EP disclosed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
EP-3157929-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF ARES TRADING SA (CH) 2023-12-13 EP disclosed
EP-3340983-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2023-10-04 EP disclosed
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-11718610-B2 Compounds containing benzosultam MEDSHINE DISCOVERY INC. (CN) 2023-08-08 US disclosed
WO-2009071389-A1 FUNGICIDE MIXTURES BASF SE (DE) 2009-06-11 WO disclosed
WO-2009042092-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES MERCK & CO., INC. (US) 2009-04-02 WO disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
WO-2007147841-A1 AZOLYLMETHYLOXIRANES, THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI AND COMPOSITIONS COMPRISING THEM BASF SE (DE) 2007-12-27 WO disclosed
CN-101027075-A Combination therapy for the treatment of obesity MERCK & CO INC (US) 2007-08-29 CN disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007062342-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO 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 (5 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885ACHE 3249/4885CYP3A4 537/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885ACHE 3249/4885CYP3A4 537/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A ALDH1A1 433/4885ACHE 3515/4885CYP3A4 234/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A ALDH1A1 3748/4885ACHE 3993/4885CYP3A4 3840/4885
US-11718610-B2 Compounds containing benzosultam TBXA2R, TBXAS1, SULT2A1 ALDH1A1 299/4885ACHE 1401/4885CYP3A4 141/4885

“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.