SCHEMBL15345779

SCHEMBL15345779

C#Cc1cc(C(C)C)cc(C(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
FABP3 P05413 2/20 0.32
FABP4 P15090 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
FABP5 Q01469 1/20 0.31
PYCR1 P32322 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL26002403 0.86 TTR (0.35)
SCHEMBL24780639 0.80 ADRA2B (0.37)
SCHEMBL3693641 0.78 GABRA1 (0.36) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL17729284 0.77 HDAC8 (0.42) CYP1A1CYP1B1HDAC8LMNA
SCHEMBL338867 0.76 GABRA1 (0.46) GABRA1GABRB2FABP3FABP4HDAC8
SCHEMBL211753 0.76 CYP1A1 (0.46) CYP1A1CYP1B1HDAC8
SCHEMBL10141641 0.75 GRM5 (0.42) HDAC8
SCHEMBL16955387 0.75
SCHEMBL6667915 0.74 TTR (0.41) GABRA1GABRB2FABP3FABP4HDAC8
SCHEMBL16960665 0.74 GABRA1 (0.33) GABRA1GABRB2FABP3FABP4FABP5

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 17 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-3023101-A1 THERAPEUTIC AGENT FOR FGFR INHIBITOR-RESISTANT CANCER Taiho Pharmaceutical Co., Ltd. (JP) 2016-05-25 EP disclosed
EP-3023100-A1 ANTITUMOR DRUG FOR INTERMITTENT ADMINISTRATION OF FGFR INHIBITOR 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
CN-103958512-B The two substituted alkynyl benzene compound of 3,5-and salt thereof TAIHO PHARMACEUTICAL CO.,LTD. (JP) 2016-01-20 CN 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
CN-103958512-A 3,5-disubstituted alkynylbenzene compound and salt thereof TAIHO PHARMACEUTICAL CO LTD 2014-07-30 CN 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 CYP1A1 2661/4885CYP1B1 1332/4885GABRA1 1091/4885
US-20190015417-A1 THERAPEUTIC AGENT FOR FGFR INHIBITOR-RESISTANT CANCER FGFR1, FGFR3, FGFR4 CYP1A1 3903/4885CYP1B1 2385/4885GABRA1 1474/4885
US-20160136168-A1 THERAPEUTIC AGENT FOR FGFR INHIBITOR-RESISTANT CANCER FGFR1, FGFR3, FGFR4 CYP1A1 3903/4885CYP1B1 2385/4885GABRA1 1474/4885
US-20160193210-A1 ANTITUMOR DRUG FOR INTERMITTENT ADMINISTRATION OF FGFR INHIBITOR FGFR1, FGFR3, FGFR2 CYP1A1 2556/4885CYP1B1 1186/4885GABRA1 1004/4885
US-10894048-B2 Antitumor drug for intermittent administration of FGFR inhibitor FGFR1, FGFR3, FGFR2 CYP1A1 2661/4885CYP1B1 1332/4885GABRA1 1091/4885
US-20140343035-A1 3,5-DISUBSTITUTED ALKYNYLBENZENE COMPOUND AND SALT THEREOF NFXL1, ZFX, CXXC5 CYP1A1 570/4885CYP1B1 210/4885GABRA1 1241/4885
US-10835536-B2 Therapeutic agent for FGFR inhibitor-resistant cancer FGFR1, FGFR3, FGFR4 CYP1A1 3903/4885CYP1B1 2385/4885GABRA1 1474/4885
US-10124003-B2 Therapeutic agent for FGFR inhibitor-resistant cancer FGFR1, FGFR3, FGFR4 CYP1A1 3903/4885CYP1B1 2385/4885GABRA1 1474/4885

“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.