SCHEMBL4367115

SCHEMBL4367115

COc1cc(C(C)(C)CC(O)(/C=N/c2cccc3c(=O)[nH]ccc23)C(F)(F)F)ccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.35
PGR P06401 3/20 0.35
P2RX7 Q99572 6/20 0.33
PARP1 P09874 1/20 0.32
MALT1 Q9UDY8 2/20 0.32
BRD9 Q9H8M2 2/20 0.32
BRD4 O60885 1/20 0.32
GABBR2 O75899 1/20 0.32
BRD2 P25440 1/20 0.32
EP300 Q09472 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 1/20 0.32
PBRM1 Q86U86 1/20 0.32
CREBBP Q92793 1/20 0.32
KAT2A Q92830 1/20 0.32
BRD7 Q9NPI1 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
NR3C2 P08235 2/20 0.32
ALK Q9UM73 1/20 0.30

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
SCHEMBL3533183 1.00 NR3C1 (0.35) NR3C1PGRP2RX7PARP1MALT1
SCHEMBL3532840 0.86 PGR (0.37) NR3C1PGRPARP1NR3C2
SCHEMBL3532839 0.86 PGR (0.37) NR3C1PGRPARP1NR3C2
SCHEMBL3532843 0.86 PGR (0.37) NR3C1PGRPARP1NR3C2
SCHEMBL3550311 0.84 NR3C1 (0.35) NR3C1PGRP2RX7NR3C2
SCHEMBL3550307 0.84 NR3C1 (0.35) NR3C1PGRP2RX7NR3C2
SCHEMBL3551590 0.83 NR3C1 (0.40) NR3C1PGRP2RX7MALT1NR3C2
SCHEMBL331987 0.83 NR3C1 (0.40) NR3C1PGRP2RX7MALT1NR3C2
SCHEMBL3551587 0.83 NR3C1 (0.40) NR3C1PGRP2RX7MALT1NR3C2
SCHEMBL5203507 0.82 NR3C1 (0.47) NR3C1PGRNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1670458-B1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AG (DE) 2006-12-20 EP 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

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

For each of this compound's patents that has machine-readable text (1 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-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES NR3C1 1387/4885PGR 3963/4885P2RX7 837/4885

“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.