SCHEMBL16119985

SCHEMBL16119985

CCCn1c2ccccc2c2cc(C#N)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
HPGD P15428 3/20 0.56
PTGER4 P35408 2/20 0.53
RORC P51449 9/20 0.51
CNR2 P34972 3/20 0.48
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
HBB P68871 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44

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
SCHEMBL29643208 0.88 PTGER4 (0.63) ALDH1A1HPGDPTGER4RORCKDM4E
SCHEMBL5892136 0.88 PTGER4 (0.63) ALDH1A1HPGDPTGER4RORCKDM4E
SCHEMBL17461813 0.85 HPGD (0.56) ALDH1A1HPGDPTGER4RORCCNR2
SCHEMBL16099363 0.84 PTGER4 (0.46) PTGER4RORCCNR2PSEN1PSEN2
SCHEMBL11752123 0.83 DRD2 (0.50) PTGER4RORCCNR2PSEN1PSEN2
SCHEMBL9103614 0.82 GPR3 (0.57) ALDH1A1HPGDPTGER4RORCKDM4E
SCHEMBL16093624 0.81 HRH1 (0.45) ALDH1A1HPGDPTGER4RORCMAPT
SCHEMBL153959 0.80 ALDH1A1 (0.62) ALDH1A1HPGDRORCCNR2KDM4E
SCHEMBL30012682 0.80 ALDH1A1 (0.62) ALDH1A1HPGDRORCCNR2KDM4E
SCHEMBL30854944 0.80 ALDH1A1 (0.62) ALDH1A1HPGDRORCCNR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2016-01-28 US disclosed
US-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2016-01-28 US disclosed
WO-2014153043-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2014-09-25 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 (1 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-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS AR, KLK3, BRDT ALDH1A1 371/4885HPGD 166/4885PTGER4 838/4885

“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.