SCHEMBL16065331

SCHEMBL16065331

COc1ccc2[nH]c(C)cc2c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
AXL P30530 1/20 0.46
KDM4E B2RXH2 5/20 0.42
MAPT P10636 4/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
GFER P55789 1/20 0.42
GAA P10253 4/20 0.42
RXFP1 Q9HBX9 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.41
KDR P35968 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL9959635 0.83 ALDH1A1 (0.47) ALDH1A1HPGDAXLKDM4EMAPT
SCHEMBL16818973 0.81 ALDH1A1 (0.46) ALDH1A1HPGDAXLKDM4EMAPT
SCHEMBL9315401 0.81 ALDH1A1 (0.46) ALDH1A1HPGDAXLKDM4EMAPT
SCHEMBL296452 0.81 KDR (0.53) ALDH1A1HPGDAXLKDRKEAP1
SCHEMBL15704592 0.80 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL17175870 0.80 HPGD (0.40) ALDH1A1HPGDAXLKDM4EMAPT
SCHEMBL17522629 0.78 PTGDR (0.38) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL11713463 0.78 RHEB (0.43) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL11712262 0.78 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL15704593 0.78 ALDH1A1 (0.43) ALDH1A1HPGDAXLKDM4EMAPT

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 8 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-2014071378-A9 SUBSTITUTED INDOL-5-OL DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS NANT HOLDINGS IP, LLC (US) 2015-02-05 WO 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 ALDH1A1 2582/4885HPGD 1485/4885AXL 2266/4885
US-20170088544-A1 SUBSTITUTED INDOL-5-OL DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS GRK5, GRK3, MTMR1 ALDH1A1 2579/4885HPGD 1595/4885AXL 2668/4885
US-20160016945-A1 SUBSTITUTED INDOL-5-OL DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS GRK5, GRK3, CDK5 ALDH1A1 2582/4885HPGD 1485/4885AXL 2266/4885

“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.