SCHEMBL16639871

SCHEMBL16639871

Cc1cc(C)c(C#N)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
ALOX15 P16050 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
HAVCR2 Q8TDQ0 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 3/20 0.39
RECQL P46063 3/20 0.38
MEN1 O00255 1/20 0.38
UPP1 Q16831 1/20 0.38
AR P10275 3/20 0.38
LMNA P02545 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
XBP1 P17861 1/20 0.36

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
SCHEMBL11445453 0.87 TSHR (0.39) KDM4EALDH1A1MAPTALOX15HSD17B10
SCHEMBL1344362 0.85 KDM4E (0.46) KDM4EALDH1A1MAPTALOX15HSD17B10
SCHEMBL17570553 0.79 KDM4E (0.39) KDM4EALDH1A1MAPTALOX15HSD17B10
SCHEMBL16127309 0.78 KDM4E (0.42) KDM4EALDH1A1MAPTALOX15HSD17B10
SCHEMBL10873192 0.78 ALDH1A1 (0.42) KDM4EALDH1A1MAPTALOX15HSD17B10
SCHEMBL12681314 0.78 KDM4E (0.38) KDM4EALDH1A1MAPTALOX15HSD17B10
SCHEMBL27666619 0.77 KDM4E (0.47) KDM4EALDH1A1MAPTALOX15HSD17B10
Hydrochloric Acid SCHEMBL28047194 0.76 ALDH1A1 (0.41) KDM4EALDH1A1MAPTALOX15HSD17B10
SCHEMBL14473069 0.74 TRPV4 (0.46) KDM4EALDH1A1MAPTALOX15HSD17B10
SCHEMBL4711658 0.74 ALDH1A1 (0.46) KDM4EALDH1A1MAPTALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170256720-A1 ORGANIC LIGHT-EMITTING DEVICE, AND LIGHT-EMITTING MATERIAL AND COMPOUND USED THEREFOR KYULUX, INC. (JP) 2017-09-07 US disclosed
US-9580604-B2 Pentafluorosulfanyl phthalocyanine derivatives and intermediates thereof UBE INDUSTRIES, LTD. (JP) 2017-02-28 US disclosed
US-9502668-B2 Organic light-emitting device, and light-emitting material and compound used therefor KYULUX, INC. (JP) 2016-11-22 US disclosed
US-20150337135-A1 PENTAFLUOROSULFANYL PHTHALOCYANINE DERIVATIVES AND INTERMEDIATES THEREOF UBE CORPORATION (JP) 2015-11-26 US disclosed
US-20150105564-A1 ORGANIC LIGHT-EMITTING DEVICE, AND LIGHT-EMITTING MATERIAL AND COMPOUND USED THEREFOR KYULUX, INC. (JP) 2015-04-16 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 (2 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-20170256720-A1 ORGANIC LIGHT-EMITTING DEVICE, AND LIGHT-EMITTING MATERIAL AND COMPOUND USED THEREFOR CRY1, WEE1, OR51E2 KDM4E 3233/4885ALDH1A1 80/4885MAPT 2112/4885
US-20150337135-A1 PENTAFLUOROSULFANYL PHTHALOCYANINE DERIVATIVES AND INTERMEDIATES THEREOF SLC39A11, FTH1, SLC39A14 KDM4E 3484/4885ALDH1A1 206/4885MAPT 3188/4885

“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.