SCHEMBL4601189

SCHEMBL4601189

CCOC(=O)c1cc(Br)ccc1OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 1/20 0.51
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRB2 P47870 1/20 0.50
TSHR P16473 3/20 0.49
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
POLB P06746 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 4/20 0.48
TBK1 Q9UHD2 1/20 0.47
MAPK1 P28482 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
S1PR4 O95977 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL3084121 0.88 CYP3A4 (0.50) PTGDR2SMN1; SMN2ALDH1A1GABRA1GABRB1
SCHEMBL669576 0.87 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1GABRA1GABRB1GABRA3
SCHEMBL2723239 0.87 ALDH1A1 (0.56) PTGDR2SMN1; SMN2ALDH1A1TSHRHPGD
SCHEMBL1546455 0.87 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1GABRA1GABRB1GABRA3
SCHEMBL30318000 0.87 ALDH1A1 (0.46) PTGDR2SMN1; SMN2ALDH1A1GABRA1GABRB1
SCHEMBL8176195 0.87 ALDH1A1 (0.46) PTGDR2SMN1; SMN2ALDH1A1GABRA1GABRB1
SCHEMBL3388835 0.85 TSHR (0.62) PTGDR2SMN1; SMN2TSHRHPGDNPSR1
SCHEMBL15994629 0.84 L3MBTL1 (0.54) PTGDR2ALDH1A1TSHRL3MBTL1LMNA
SCHEMBL14279020 0.83 TSHR (0.52) SMN1; SMN2ALDH1A1TSHRHPGDRXFP1
SCHEMBL13064184 0.83 PTGDR2 (0.71) PTGDR2SMN1; SMN2TSHRHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776976-B2 Triazolone compounds and uses thereof INCEPTION 2, INC. (US) 2017-10-03 US disclosed
US-9776976-B2 Triazolone compounds and uses thereof INCEPTION 2, INC. (US) 2017-10-03 US disclosed
US-9776976-B2 Triazolone compounds and uses thereof INCEPTION 2, INC. (US) 2017-10-03 US disclosed
EP-2822931-B1 TRIAZOLONE COMPOUNDS AND USES THEREOF INCEPTION 2 INC (US) 2017-05-03 EP disclosed
EP-2822931-B1 TRIAZOLONE COMPOUNDS AND USES THEREOF INCEPTION 2 INC (US) 2017-05-03 EP disclosed
US-9505728-B2 Triazolone compounds and uses thereof INCEPTION 2, INC. (US) 2016-11-29 US disclosed
US-9505728-B2 Triazolone compounds and uses thereof INCEPTION 2, INC. (US) 2016-11-29 US disclosed
US-9505728-B2 Triazolone compounds and uses thereof INCEPTION 2, INC. (US) 2016-11-29 US disclosed
EP-3041826-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF Inception 2, Inc. (US) 2016-07-13 EP disclosed
US-20160194292-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2016-07-07 US disclosed
US-20150080412-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF INCEPTION 2, INC. (US) 2015-03-19 US disclosed
US-20150080412-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF INCEPTION 2, INC. (US) 2015-03-19 US disclosed
WO-2015035059-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF INCEPTION 2, INC. (US) 2015-03-12 WO disclosed
WO-2015035059-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF INCEPTION 2, INC. (US) 2015-03-12 WO disclosed
EP-2822931-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF Inception 2, Inc. (US) 2015-01-14 EP disclosed
WO-2013134562-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF INCEPTION 2, INC. (US) 2013-09-12 WO disclosed
WO-2013134562-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF INCEPTION 2, INC. (US) 2013-09-12 WO disclosed
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 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 (3 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-20150080412-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF PPARA, PPARG, PPARD PTGDR2 753/4885SMN1; SMN2 2827/4885ALDH1A1 673/4885
US-20160194292-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF PPARA, PPARD, PPARG PTGDR2 308/4885SMN1; SMN2 2965/4885ALDH1A1 497/4885
US-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R PTGDR2 280/4885SMN1; SMN2 3867/4885ALDH1A1 3830/4885

“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.