SCHEMBL1696397

SCHEMBL1696397

CCCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.55
TDP1 Q9NUW8 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CETP P11597 1/20 0.50
FDFT1 P37268 1/20 0.49
LTA4H P09960 1/20 0.48
DAO P14920 1/20 0.48
FFAR1 O14842 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 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
Ammonia Solution, Strong SCHEMBL27879510 0.98 KDM4E (0.54) KDM4EALDH1A1TDP1TSHRHSD17B10
SCHEMBL21770981 0.98 KDM4E (0.54) KDM4EALDH1A1TDP1TSHRHSD17B10
SCHEMBL26218121 0.94 TAAR1 (0.50) KDM4EALDH1A1TDP1TSHRHSD17B10
SCHEMBL25381878 0.91 FDFT1 (0.57) KDM4EALDH1A1TDP1TSHRHSD17B10
SCHEMBL6795855 0.89 LTA4H (0.55) KDM4EALDH1A1TDP1TSHRHSD17B10
SCHEMBL14127822 0.87 FFAR1 (0.52) KDM4EALDH1A1TDP1TSHRHSD17B10
SCHEMBL10106193 0.87 PPARA (0.60) CETPFDFT1LTA4H
SCHEMBL25382577 0.86 FDFT1 (0.49) KDM4EALDH1A1TDP1TSHRHSD17B10
SCHEMBL23085167 0.86 PPARA (0.62) CETPLTA4H
SCHEMBL29959530 0.86 PPARA (0.62) CETPLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4288387-A REACTION OF A HALOGENOPENTENE OR HEXENE WITH A DIAZOACETIC ESTER IN THE PRESENCE OF CATALYST WHICH IS METALLIC COPPER, A COPPER SALT, A RHODIUM SALT, OR A TRANSITION METAL COMPLEX OF A CHIRAL SCHIFF BASE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-09-08 US claimed
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
US-11008596-B2 Cytochrome P450 BM3 enzyme variants for preparation of cyclopropanes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-05-18 US disclosed
US-20190211367-A1 VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-07-11 US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 US disclosed
US-9518000-B2 Bicyclo [2.2.1] acid GPR120 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-20160113954-A1 THERAPY FOR INHIBITION OF SINGLE-STRANDED RNA VIRUS REPLICATION REDHILL BIOPHARMA LTD. (IL) 2016-04-28 US disclosed
US-20160016880-A1 BICYCLO [2.2.1] ACID GPR120 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 US disclosed
WO-2015179559-A2 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-11-26 WO disclosed
US-9040715-B2 1,2-benzisothiazolinone and isoindolinone derivatives GEORGETOWN UNIVERSITY (US) 2015-05-26 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed
US-20090118160-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW THOMAS 2009-05-07 US disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 US disclosed
US-7453002-B2 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7312200-B2 9-ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2007-12-25 US disclosed
US-7312200-B2 9-ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2007-12-25 US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed
US-20070004704-A1 Such as 6-Methyl-2-[4-(5-methyl-2-phenyl-oxazol-4-ylmethoxy)-benzenesulfonylamino]-benzoic acid which binds Peroxisome Proliferator-Activated Receptors; conditions in which impaired glucose tolerance, hyperglycemia and insulin resistance are implicated, such as type-1 and type-2 diabetes, and Syndrome X NOVARTIS AG (CH) 2007-01-04 US disclosed
EP-0240121-A2 Diphenyl ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-07 EP disclosed
EP-0064394-A1 Manufacture of alpha-arylalkanoic acids and precursors SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1982-11-10 EP 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 (7 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-20090118160-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD KDM4E 3718/4885ALDH1A1 557/4885TDP1 2568/4885
US-20160113954-A1 THERAPY FOR INHIBITION OF SINGLE-STRANDED RNA VIRUS REPLICATION RNMT, EIF2AK2, POLRMT KDM4E 2814/4885ALDH1A1 3057/4885TDP1 409/4885
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, FAAH, FAAH2 KDM4E 2168/4885ALDH1A1 1322/4885TDP1 4025/4885
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 KDM4E 4408/4885ALDH1A1 665/4885TDP1 3195/4885
US-20160016880-A1 BICYCLO [2.2.1] ACID GPR120 MODULATORS GPR180, GPR88, GPBAR1 KDM4E 4189/4885ALDH1A1 2096/4885TDP1 4809/4885
US-20070004704-A1 Such as 6-Methyl-2-[4-(5-methyl-2-phenyl-oxazol-4-ylmethoxy)-benzenesulfonylamino]-benzoic acid which binds Peroxisome Proliferator-Activated Receptors; conditions in which impaired glucose tolerance, hyperglycemia and insulin resistance are implicated, such as type-1 and type-2 diabetes, and Syndrome X PPARG, GPR119, PPARA KDM4E 1746/4885ALDH1A1 845/4885TDP1 1787/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 KDM4E 988/4885ALDH1A1 4184/4885TDP1 2995/4885

“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.