SCHEMBL3538889

SCHEMBL3538889

COc1cc(Cl)ccc1C(C)(C)C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.49
CYP19A1 P11511 1/20 0.41
ERN1 O75460 3/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
FLT1 P17948 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
SCHEMBL803017 0.80 TRPV4 (0.56) TRPV4CYP19A1ALDH1A1HPGDKDM4E
SCHEMBL16579380 0.77 TRPV4 (0.49) TRPV4CYP19A1ALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL31409980 0.75 TRPV4 (0.47) TRPV4CYP19A1ALDH1A1HPGDKDM4E
SCHEMBL5550397 0.74 CA1 (0.46) ERN1ALDH1A1RAB9AKMT2AMEN1
SCHEMBL18929952 0.74 TRPV4 (0.46) TRPV4CYP19A1ALDH1A1HPGDKMT2A
SCHEMBL22043045 0.74 TRPV4 (0.46) TRPV4CYP19A1ALDH1A1HPGDKDM4E
SCHEMBL3529504 0.73 NR3C1 (0.46) TRPV4CYP19A1
SCHEMBL3535344 0.72 TRPV4 (0.45) TRPV4CYP19A1ALDH1A1HPGDKDM4E
SCHEMBL3692285 0.71 PRKDC (0.40) ERN1ALDH1A1KDM4ETSHR
SCHEMBL1570210 0.71 ALDH1A1 (0.63) TRPV4ERN1ALDH1A1HPGDKDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662821-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AG (DE) 2010-02-16 US disclosed
US-7659297-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines Bayer Schering Pharma, AG (DE) 2010-02-09 US disclosed
US-7638515-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-29 US disclosed
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-08 US disclosed
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-09-22 US disclosed
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-04 US disclosed
US-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2005-04-28 US 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 (4 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-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents IL1B, NFKBIA, BBOX1 TRPV4 1562/4885CYP19A1 597/4885ERN1 4098/4885
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES TRPV4 557/4885CYP19A1 1020/4885ERN1 2820/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES TRPV4 977/4885CYP19A1 567/4885ERN1 3486/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES TRPV4 557/4885CYP19A1 1020/4885ERN1 2820/4885

“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.