SCHEMBL16065321

SCHEMBL16065321

COc1ccc2c(cc(C)n2C)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
DHFR P00374 1/20 0.40
MAPT P10636 5/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
CYP19A1 P11511 3/20 0.38
NQO2 P16083 3/20 0.38
ACHE P22303 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 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
SCHEMBL17452831 0.82 HSD17B10 (0.41) HSD17B10CASP1CASP7DHFRMAPT
SCHEMBL16441210 0.82 HSD17B10 (0.41) HSD17B10CASP1CASP7DHFRMAPT
SCHEMBL23397272 0.82 HSD17B10 (0.41) HSD17B10CASP1CASP7DHFRMAPT
SCHEMBL15704599 0.81 CASP1 (0.43) HSD17B10CASP1CASP7DHFRMAPT
SCHEMBL17170048 0.81 CASP1 (0.40) HSD17B10CASP1CASP7DHFRMAPT
SCHEMBL434299 0.78 CYP19A1 (0.46) HSD17B10CASP1CASP7MAPTPOLB
SCHEMBL18271505 0.77 MEN1 (0.51) HSD17B10MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL18052982 0.75 TUBB1 (0.41) HSD17B10MAPTPOLBALDH1A1MEN1
SCHEMBL18054329 0.74 ALDH1A1 (0.43) HSD17B10MAPTPOLBALDH1A1L3MBTL1
SCHEMBL12278203 0.73 HSD17B10 (0.52) HSD17B10CASP1CASP7DHFRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3261638-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE INC (US) 2019-05-08 EP disclosed
US-20170189400-A1 SUBSTITUTED INDOL-5-OL DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS NANTBIO, INC. 2017-07-06 US disclosed
US-20170088544-A1 SUBSTITUTED INDOL-5-OL DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS NANTBIO, INC. 2017-03-30 US disclosed
US-9550760-B2 Substituted indol-5-ol derivatives and their therapeutic applications NANTBIOSCIENCE, INC. (US) 2017-01-24 US disclosed
WO-2016137506-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. (US) 2016-09-01 WO disclosed
US-20160016945-A1 SUBSTITUTED INDOL-5-OL DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS NANTBIO, INC. 2016-01-21 US disclosed
WO-2014145403-A1 SUBSTITUTED INDOL-5-OL DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS NANTBIO, INC. (US) 2014-09-18 WO 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 (3 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-20170189400-A1 SUBSTITUTED INDOL-5-OL DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS GRK5, GRK3, CDK5 HSD17B10 3176/4885CASP1 3519/4885CASP7 3738/4885
US-20170088544-A1 SUBSTITUTED INDOL-5-OL DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS GRK5, GRK3, MTMR1 HSD17B10 3398/4885CASP1 3722/4885CASP7 3765/4885
US-20160016945-A1 SUBSTITUTED INDOL-5-OL DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS GRK5, GRK3, CDK5 HSD17B10 3176/4885CASP1 3519/4885CASP7 3738/4885

“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.