SCHEMBL3534895

SCHEMBL3534895

CCC(C(=O)C(=O)O)C(C)(C)c1cccc(Cl)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NOTUM Q6P988 1/20 0.35
CTSS P25774 1/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MME P08473 1/20 0.33
MEN1 O00255 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CTSA P10619 1/20 0.32
POLB P06746 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32

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
SCHEMBL3534325 0.86 ALDH1A1 (0.40) ALDH1A1KMT2AKDM4EHSD17B10CTSS
SCHEMBL3533701 0.85 CTSS (0.37) ALDH1A1KMT2AKDM4ECTSSTSHR
SCHEMBL3531859 0.84 SCN5A (0.35) CTSS
SCHEMBL3537446 0.79 KMT2A (0.43) ALDH1A1KMT2AKDM4ETSHRGAA
SCHEMBL3529919 0.74 CTSS (0.36) ALDH1A1KMT2AKDM4EHSD17B10NOTUM
SCHEMBL3535562 0.73 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EHSD17B10NOTUM
SCHEMBL30093431 0.72 ALDH1A1 (0.45) ALDH1A1KMT2AKDM4EHSD17B10NOTUM
SCHEMBL27176515 0.72 ALDH1A1 (0.45) ALDH1A1KMT2AKDM4EHSD17B10NOTUM
SCHEMBL3535671 0.72 CYP2C19 (0.39) ALDH1A1KMT2AKDM4EGAAL3MBTL1
SCHEMBL3534894 0.71 NOTUM (0.37) ALDH1A1KMT2AKDM4EHSD17B10NOTUM

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 6 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

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

For each of this compound's patents that has machine-readable text (3 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-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES ALDH1A1 511/4885KMT2A 4643/4885KDM4E 3610/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES ALDH1A1 280/4885KMT2A 4630/4885KDM4E 3612/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES ALDH1A1 511/4885KMT2A 4643/4885KDM4E 3610/4885

“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.