SCHEMBL1262376

SCHEMBL1262376

CC=C(CC(O)(C(=O)OCC)C(F)(F)F)c1ccc(C(C)C)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HIF1A Q16665 1/20 0.38
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1262375 1.00 ALDH1A1 (0.47) ALDH1A1POLBNPSR1HIF1AGLA
SCHEMBL5278211 0.86 ALDH1A1 (0.49) ALDH1A1POLBNPSR1GLAL3MBTL1
SCHEMBL1261653 0.84 ALDH1A1 (0.45) ALDH1A1POLBNPSR1HIF1AGLA
SCHEMBL1261933 0.78 AKR1C3 (0.33) HIF1A
SCHEMBL1261935 0.78 AKR1C3 (0.33) HIF1A
SCHEMBL1261415 0.76 HIF1A (0.38) ALDH1A1HIF1ABCHEACHEMAPT
SCHEMBL1261619 0.75 ALDH1A1 (0.49) ALDH1A1POLBNPSR1GLAL3MBTL1
SCHEMBL1261618 0.75 ALDH1A1 (0.49) ALDH1A1POLBNPSR1GLAL3MBTL1
SCHEMBL1262053 0.75 ALDH1A1 (0.49) ALDH1A1POLBNPSR1GLAL3MBTL1
SCHEMBL1262054 0.75 ALDH1A1 (0.49) ALDH1A1POLBNPSR1GLAL3MBTL1

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-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-2072509-A1 1-Aryl-1H-quinoline-2-ones: process for their production and their use as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-24 EP 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 ALDH1A1 306/4885POLB 1858/4885NPSR1 339/4885
US-20100298311-A1 TETRAHYDRONAPHTHALENE DERIVATES, PROCESS FOR PREPARING THEM AND THEIR USE AS ANTIINFLAMMATORY AGENTS TNF, IL1B, DHPS ALDH1A1 309/4885POLB 1852/4885NPSR1 344/4885

“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.