SCHEMBL1260106

SCHEMBL1260106

CCC(=O)Oc1cccc(F)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
ACHE P22303 3/20 0.43
ACLY P53396 1/20 0.41
NLRP3 Q96P20 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
ESR1 P03372 2/20 0.40
HIF1A Q16665 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ELANE P08246 1/20 0.39
RECQL P46063 1/20 0.39
OXTR P30559 1/20 0.38

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
SCHEMBL1261700 0.84 ACLY (0.42) KMT2AKDM4EACHEACLYNLRP3
SCHEMBL31567693 0.84 ACLY (0.42) KMT2AKDM4EACHEACLYNLRP3
SCHEMBL1503350 0.84 ALDH1A1 (0.54) KDM4EGAAACLYALOX15SMN1; SMN2
SCHEMBL30805171 0.84 ALDH1A1 (0.54) KDM4EGAAACLYALOX15SMN1; SMN2
SCHEMBL1750794 0.82 POLB (0.53) KMT2AHSD17B10KDM4ELMNAGLA
Hydrochloric Acid SCHEMBL27592317 0.82 ALDH1A1 (0.53) KDM4EGAAACLYALOX15SMN1; SMN2
SCHEMBL1261423 0.81 ACLY (0.41) KMT2AKDM4EACHEACLYALOX15
SCHEMBL1261193 0.81 ACHE (0.43) KMT2AHSD17B10KDM4EGLAGAA
Hydrochloric Acid SCHEMBL21708630 0.81 ACLY (0.41) KMT2AHSD17B10KDM4EGLAGAA
SCHEMBL9997113 0.81 CA12 (0.46) KMT2AHSD17B10KDM4ELMNAGLA

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
EP-1994005-B9 TETRAHYDRONAPHTHALINE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS Bayer Pharma AG (DE) 2012-01-11 EP disclosed
EP-1994005-B1 TETRAHYDRONAPHTHALINE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AG (DE) 2011-07-20 EP disclosed
US-7880042-B2 antiinflammatory agents; (5 alpha ,6 alpha ,8 beta )-2-fluoro-8-methyl-5-[(2-methylquinoline-5-yl)amino]-6-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalene-1,6-diol; side effect reduction BAYER SCHERING PHARMA AG (DE) 2011-02-01 US disclosed
US-20100298311-A1 TETRAHYDRONAPHTHALENE DERIVATES, PROCESS FOR PREPARING THEM AND THEIR USE AS ANTIINFLAMMATORY AGENTS BERGER MARKUS 2010-11-25 US disclosed
EP-1994005-A1 TETRAHYDRONAPHTHALINE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2008-11-26 EP disclosed
US-20070225290-A1 Tetrahydronaphthalene derivates, processes for preparing them and their use as antiinflammatory agents BAYER SCHERING PHARMA AG (DE) 2007-09-27 US disclosed
WO-2007104582-A1 TETRAHYDRONAPHTHALINE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-09-20 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 (2 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-20070225290-A1 Tetrahydronaphthalene derivates, processes for preparing them and their use as antiinflammatory agents TNF, IL1B, DHPS KMT2A 4701/4885HSD17B10 536/4885KDM4E 4319/4885
US-20100298311-A1 TETRAHYDRONAPHTHALENE DERIVATES, PROCESS FOR PREPARING THEM AND THEIR USE AS ANTIINFLAMMATORY AGENTS TNF, IL1B, DHPS KMT2A 4694/4885HSD17B10 516/4885KDM4E 4227/4885

“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.