SCHEMBL697093

SCHEMBL697093

COc1cc(C=O)c(C)cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.59
KDM4E B2RXH2 2/20 0.59
TSHR P16473 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
PRKDC P78527 2/20 0.53
ERN1 O75460 6/20 0.48
MAPT P10636 3/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
TLR6 Q9Y2C9 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL282147 0.91 ALDH1A1 (0.54) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL1494078 0.89 ALDH1A1 (0.68) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL18232228 0.89 ALDH1A1 (0.61) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL24311483 0.87 ALDH1A1 (0.72) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL1039129 0.87 ALDH1A1 (0.72) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL1534470 0.83 ALDH1A1 (0.72) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL29818672 0.83 ALDH1A1 (0.65) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL12082032 0.82 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL15813932 0.82 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL4253285 0.82 PRKDC (0.75) ALDH1A1KDM4ETSHRTDP1PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105916832-B Cockroach assembles inducing substance, cockroach aggregation attractant and cockroach expellent 国立大学法人京都大学 2019-02-22 CN disclosed
US-10167269-B2 Cockroach attraction-aggregation substance, cockroach aggregation attractant and cockroach controlling agent KYOTO UNIVERSITY (JP) 2019-01-01 US disclosed
US-10167269-B2 Cockroach attraction-aggregation substance, cockroach aggregation attractant and cockroach controlling agent KYOTO UNIVERSITY (JP) 2019-01-01 US disclosed
US-20160326129-A1 COCKROACH ATTRACTION-AGGREGATION SUBSTANCE, COCKROACH AGGREGATION ATTRACTANT AND COCKROACH CONTROLLING AGENT KYOTO UNIVERSITY (JP) 2016-11-10 US disclosed
US-20160326129-A1 COCKROACH ATTRACTION-AGGREGATION SUBSTANCE, COCKROACH AGGREGATION ATTRACTANT AND COCKROACH CONTROLLING AGENT KYOTO UNIVERSITY (JP) 2016-11-10 US disclosed
CN-105916832-A Cockroach-aggregating attracting substance, cockroach-aggregating attractant, and cockroach exterminating agent 国立大学法人京都大学 2016-08-31 CN disclosed
WO-2016121528-A1 CRAWLING PEST CONTROL PREPARATION 大日本除蟲菊株式会社 2016-08-04 WO disclosed
WO-2015098681-A1 COCKROACH-AGGREGATING ATTRACTING SUBSTANCE, COCKROACH-AGGREGATING ATTRACTANT, AND COCKROACH EXTERMINATING AGENT 国立大学法人京都大学 2015-07-02 WO disclosed
EP-1924264-B9 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS HOFFMANN LA ROCHE (CH) 2014-02-19 EP disclosed
EP-1924264-B1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS HOFFMANN LA ROCHE (CH) 2013-09-18 EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
EP-1981853-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES Pfizer Limited (GB) 2008-10-22 EP disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
WO-2007083207-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LIMITED (GB) 2007-07-26 WO disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US 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 (6 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885KDM4E 574/4885TSHR 3443/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885KDM4E 574/4885TSHR 3443/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885KDM4E 574/4885TSHR 3443/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885KDM4E 574/4885TSHR 3443/4885
US-20160326129-A1 COCKROACH ATTRACTION-AGGREGATION SUBSTANCE, COCKROACH AGGREGATION ATTRACTANT AND COCKROACH CONTROLLING AGENT ACHE, STOM, NAPA ALDH1A1 4126/4885KDM4E 4790/4885TSHR 3233/4885
US-10167269-B2 Cockroach attraction-aggregation substance, cockroach aggregation attractant and cockroach controlling agent ACHE, STOM, NAPA ALDH1A1 4126/4885KDM4E 4790/4885TSHR 3233/4885

“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.