SCHEMBL15345480

SCHEMBL15345480

CCOc1cc(C=C(Br)Br)cc(OCC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.43
AHR P35869 1/20 0.43
NQO1 P15559 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ABL1 P00519 1/20 0.37
ABCB1 P08183 1/20 0.37
BCR P11274 1/20 0.37
RELA Q04206 1/20 0.36
PTGS2 P35354 1/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
LTA4H P09960 1/20 0.34
NQO2 P16083 3/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL16288430 0.80 NQO1 (0.56) ESR1AHRNQO1KDM4ESMN1; SMN2
SCHEMBL12814340 0.77 CYP1A1 (0.56) ESR1AHRKDM4EALDH1A1ABL1
SCHEMBL16954674 0.77 ESR1 (0.47) ESR1AHRNQO1KDM4ESMN1; SMN2
SCHEMBL272248 0.76 EGFR (0.53) ESR1AHRKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1683212 0.75 NQO1 (0.65) ESR1AHRNQO1KDM4ESMN1; SMN2
SCHEMBL6197483 0.72 ESR1 (0.47) ESR1AHRNQO1KDM4ESMN1; SMN2
SCHEMBL273282 0.72 ALDH1A1 (0.47) ESR1AHRNQO1KDM4ESMN1; SMN2
SCHEMBL6197489 0.72 ESR1 (0.47) ESR1AHRNQO1KDM4ESMN1; SMN2
SCHEMBL12378478 0.72 ALDH1A1 (0.54) ESR1AHRSMN1; SMN2ALDH1A1NPC1
SCHEMBL10709235 0.71 KMT2A (0.49) ESR1AHRNQO1KDM4ESMN1; SMN2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894048-B2 Antitumor drug for intermittent administration of FGFR inhibitor TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-01-19 US disclosed
US-10835536-B2 Therapeutic agent for FGFR inhibitor-resistant cancer TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-11-17 US disclosed
EP-3023101-B1 THERAPEUTIC AGENT FOR FGFR INHIBITOR-RESISTANT CANCER TAIHO PHARMACEUTICAL CO LTD (JP) 2020-08-19 EP disclosed
US-20190183897-A1 ANTITUMOR DRUG FOR INTERMITTENT ADMINISTRATION OF FGFR INHIBITOR TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-06-20 US disclosed
EP-3023100-B1 ANTITUMOR DRUG FOR INTERMITTENT ADMINISTRATION OF FGFR INHIBITOR TAIHO PHARMACEUTICAL CO LTD (JP) 2019-03-13 EP disclosed
US-20190015417-A1 THERAPEUTIC AGENT FOR FGFR INHIBITOR-RESISTANT CANCER TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-01-17 US disclosed
US-10124003-B2 Therapeutic agent for FGFR inhibitor-resistant cancer TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-11-13 US disclosed
US-20160193210-A1 ANTITUMOR DRUG FOR INTERMITTENT ADMINISTRATION OF FGFR INHIBITOR TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-07-07 US disclosed
EP-3023100-A1 ANTITUMOR DRUG FOR INTERMITTENT ADMINISTRATION OF FGFR INHIBITOR Taiho Pharmaceutical Co., Ltd. (JP) 2016-05-25 EP disclosed
EP-3023101-A1 THERAPEUTIC AGENT FOR FGFR INHIBITOR-RESISTANT CANCER Taiho Pharmaceutical Co., Ltd. (JP) 2016-05-25 EP disclosed
US-20160136168-A1 THERAPEUTIC AGENT FOR FGFR INHIBITOR-RESISTANT CANCER TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-05-19 US disclosed
US-9108973-B2 3,5-disubstituted alkynylbenzene compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-08-18 US disclosed
US-20140343035-A1 3,5-DISUBSTITUTED ALKYNYLBENZENE COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO.,LTD. (JP) 2014-11-20 US disclosed
EP-2657233-B1 3,5-DISUBSTITUTED ALKYNYLBENZENE COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2014-08-27 EP disclosed
EP-2657233-A1 3,5-DISUBSTITUTED ALKYNYLBENZENE COMPOUND AND SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2013-10-30 EP 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 (8 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-20190183897-A1 ANTITUMOR DRUG FOR INTERMITTENT ADMINISTRATION OF FGFR INHIBITOR FGFR1, FGFR3, FGFR2 ESR1 2865/4885AHR 402/4885NQO1 3269/4885
US-20190015417-A1 THERAPEUTIC AGENT FOR FGFR INHIBITOR-RESISTANT CANCER FGFR1, FGFR3, FGFR4 ESR1 3230/4885AHR 246/4885NQO1 1296/4885
US-20160136168-A1 THERAPEUTIC AGENT FOR FGFR INHIBITOR-RESISTANT CANCER FGFR1, FGFR3, FGFR4 ESR1 3230/4885AHR 246/4885NQO1 1296/4885
US-20160193210-A1 ANTITUMOR DRUG FOR INTERMITTENT ADMINISTRATION OF FGFR INHIBITOR FGFR1, FGFR3, FGFR2 ESR1 2252/4885AHR 232/4885NQO1 2985/4885
US-10894048-B2 Antitumor drug for intermittent administration of FGFR inhibitor FGFR1, FGFR3, FGFR2 ESR1 2865/4885AHR 402/4885NQO1 3269/4885
US-20140343035-A1 3,5-DISUBSTITUTED ALKYNYLBENZENE COMPOUND AND SALT THEREOF NFXL1, ZFX, CXXC5 ESR1 1887/4885AHR 803/4885NQO1 1834/4885
US-10835536-B2 Therapeutic agent for FGFR inhibitor-resistant cancer FGFR1, FGFR3, FGFR4 ESR1 3230/4885AHR 246/4885NQO1 1296/4885
US-10124003-B2 Therapeutic agent for FGFR inhibitor-resistant cancer FGFR1, FGFR3, FGFR4 ESR1 3230/4885AHR 246/4885NQO1 1296/4885

“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.