SCHEMBL305347

SCHEMBL305347

Nc1cccc2c(=O)occc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
TDP1 Q9NUW8 3/20 0.54
HPGD P15428 3/20 0.54
CYP3A4 P08684 3/20 0.54
TSHR P16473 2/20 0.54
HSD17B10 Q99714 2/20 0.54
PARP1 P09874 4/20 0.46
RECQL P46063 2/20 0.46
TTR P02766 1/20 0.46
NR4A2 P43354 1/20 0.43
KEAP1 Q14145 1/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 2/20 0.41
POLB P06746 2/20 0.41
BLM P54132 2/20 0.41
TDP2 O95551 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL13819398 0.79 KDM4E (0.44) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL24534291 0.75 CYP1A2 (0.54) ALDH1A1TDP1HPGDCYP3A4HSD17B10
SCHEMBL48843 0.74 ALDH1A1 (1.00) ALDH1A1TDP1HPGDCYP3A4TSHR
SCHEMBL29365003 0.74 ALDH1A1 (1.00) ALDH1A1TDP1HPGDCYP3A4TSHR
SCHEMBL27912581 0.74 ALDH1A1 (1.00) ALDH1A1TDP1HPGDCYP3A4TSHR
SCHEMBL30578887 0.73 ALDH1A1 (0.52) ALDH1A1TDP1HPGDCYP3A4TSHR
SCHEMBL8229668 0.72 ALDH1A1 (0.41) ALDH1A1TDP1HPGDHSD17B10MEN1
SCHEMBL824913 0.71 CYP3A4 (0.48) ALDH1A1TDP1HPGDCYP3A4TSHR
Hydrochloric Acid SCHEMBL8641121 0.71 CYP3A4 (0.93) ALDH1A1TDP1HPGDCYP3A4TSHR
SCHEMBL335367 0.71 ALDH1A1 (0.93) ALDH1A1TDP1HPGDCYP3A4TSHR

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124562-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-04-20 EP disclosed
EP-2124562-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-04-20 EP disclosed
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
EP-2001474-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
EP-2001474-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
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
WO-2007109201-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO 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
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US disclosed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US disclosed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US disclosed
EP-1670778-B1 REARRANGED PENTANOLS, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AG (DE) 2006-11-15 EP disclosed
WO-2006102588-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 WO disclosed
EP-1670778-A1 REARRANGED PENTANOLS, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS Schering Aktiengesellschaft (DE) 2006-06-21 EP disclosed
US-20050131226-A1 Rearranged pentanols, a process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2005-06-16 US disclosed
WO-2005035518-A1 REARRANGED PENTANOLS, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-21 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-20050131226-A1 Rearranged pentanols, a process for their production and their use as anti-inflammatory agents TNF, PTGES, PTGES2 ALDH1A1 233/4885TDP1 3643/4885HPGD 171/4885
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 ALDH1A1 3640/4885TDP1 2440/4885HPGD 368/4885

“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.