SCHEMBL1622124

SCHEMBL1622124

Cc1ccc(-c2ccc(C(C)(C)C)cc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.58
TSHR P16473 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
DGAT1 O75907 2/20 0.43
KMT2A Q03164 1/20 0.43
HPGDS O60760 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
XDH P47989 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
EPHB4 P54760 1/20 0.40
TEK Q02763 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39

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
SCHEMBL17517230 0.89 KIF11 (0.49) KIF11TSHRKDM4EALDH1A1DGAT1
SCHEMBL20053089 0.88 KIF11 (0.47) KIF11TSHRKDM4EALDH1A1DGAT1
SCHEMBL17051516 0.84 HPGDS (0.54) HPGDSNPC1RAB9APIK3CDPIK3CA
SCHEMBL18674431 0.84 RXRB (0.44) KIF11KDM4EHPGDSNPC1RAB9A
SCHEMBL136966 0.82 TSHR (0.46) KIF11TSHRKDM4EALDH1A1DGAT1
SCHEMBL31411120 0.82 TSHR (0.46) KIF11TSHRKDM4EALDH1A1DGAT1
SCHEMBL676678 0.82 HPGDS (0.56) HPGDSNPC1RAB9APIK3CDPIK3CA
SCHEMBL4412958 0.82 KIF11 (0.52) KIF11KDM4EALDH1A1HPGDSCA12
SCHEMBL14848474 0.81 SLC22A12 (0.40) KIF11TSHRKDM4EALDH1A1DGAT1
SCHEMBL12632482 0.81 KIF11 (0.54) KIF11TSHRKDM4EALDH1A1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-9614165-B2 Photoelectric conversion element, dye-sensitized solar cell, metal complex dye, dye solution, dye-adsorbed electrode and method of producing dye-sensitized solar cell FUJIFILM CORPORATION (JP) 2017-04-04 US disclosed
US-9614165-B2 Photoelectric conversion element, dye-sensitized solar cell, metal complex dye, dye solution, dye-adsorbed electrode and method of producing dye-sensitized solar cell FUJIFILM CORPORATION (JP) 2017-04-04 US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 US disclosed
US-20150280145-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ABSORBED ELECTRODE AND METHOD OF PRODUCING DYE-SENSITIZED SOLAR CELL FUJIFILM CORPORATION (JP) 2015-10-01 US disclosed
US-20150280145-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ABSORBED ELECTRODE AND METHOD OF PRODUCING DYE-SENSITIZED SOLAR CELL FUJIFILM CORPORATION (JP) 2015-10-01 US disclosed
US-8791104-B2 1,4-benzodiazepine-2,5-diones with therapeutic properties THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-07-29 US disclosed
US-20130261110-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-03 US disclosed
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-12 US disclosed
US-7947684-B2 anticoagulants; immunomoderators; antiinflammatory agents AVENTIS PHARMACEUTICALS INC. (US) 2011-05-24 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 (4 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 KIF11 3287/4885TSHR 2259/4885KDM4E 465/4885
US-20130261110-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 KIF11 4574/4885TSHR 980/4885KDM4E 1321/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 KIF11 3287/4885TSHR 2259/4885KDM4E 465/4885
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 KIF11 4574/4885TSHR 980/4885KDM4E 1321/4885

“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.