SCHEMBL1260508

SCHEMBL1260508

CCC(=O)c1ccc(Cl)c(Cl)c1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.47
PIK3CA P42336 3/20 0.42
POLB P06746 1/20 0.40
CYP3A4 P08684 2/20 0.40
SHBG P04278 1/20 0.40
ALDH1A1 P00352 3/20 0.37
HMGCR P04035 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
MAPK1 P28482 2/20 0.35
DPP4 P27487 1/20 0.35
HIF1A Q16665 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
SCHEMBL24451116 0.86 HSP90AB1 (0.48) HSP90AB1PIK3CAPOLBCYP3A4SHBG
SCHEMBL481119 0.85 HSP90AB1 (0.52) HSP90AB1PIK3CAPOLBCYP3A4SHBG
SCHEMBL28385050 0.84 HSP90AB1 (0.46) HSP90AB1POLBCYP3A4ALDH1A1HMGCR
SCHEMBL1260559 0.81 HSP90AB1 (0.44) HSP90AB1PIK3CAPOLBSHBGALDH1A1
SCHEMBL27537296 0.79 HSP90AB1 (0.42) HSP90AB1POLBCYP3A4ALDH1A1KDM4E
SCHEMBL11735266 0.78 KMT2A (0.52) PIK3CACYP3A4ALDH1A1KDM4EKMT2A
SCHEMBL9501959 0.78 MAPK1 (0.39) PIK3CAPOLBCYP3A4ALDH1A1KDM4E
SCHEMBL15700811 0.77 HSP90AB1 (0.52) HSP90AB1PIK3CAPOLBCYP3A4SHBG
SCHEMBL30209765 0.77 HSP90AB1 (0.52) HSP90AB1PIK3CAPOLBCYP3A4SHBG
SCHEMBL28693860 0.77 HSP90AB1 (0.43) HSP90AB1POLBCYP3A4ALDH1A1HMGCR

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 HSP90AB1 1660/4885PIK3CA 3363/4885POLB 1858/4885
US-20100298311-A1 TETRAHYDRONAPHTHALENE DERIVATES, PROCESS FOR PREPARING THEM AND THEIR USE AS ANTIINFLAMMATORY AGENTS TNF, IL1B, DHPS HSP90AB1 1655/4885PIK3CA 3337/4885POLB 1852/4885

“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.