SCHEMBL21998496

SCHEMBL21998496

O=C(Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1F)C1CCC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 2/20 0.50
MAOB P27338 2/20 0.49
RXFP1 Q9HBX9 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
KMT2A Q03164 2/20 0.47
EPHX2 P34913 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL21996658 0.98 NPC1 (0.56) NPC1KDM4EALDH1A1RAB9AMAOB
SCHEMBL21998494 0.95 NPC1 (0.55) NPC1KDM4EALDH1A1RAB9AMAOB
SCHEMBL21994192 0.83 NPC1 (0.68) NPC1KDM4EALDH1A1RAB9AMAOB
SCHEMBL21933265 0.82 MAPT (0.59) NPC1KDM4EALDH1A1RAB9AKMT2A
SCHEMBL21994189 0.81 NPC1 (0.72) NPC1KDM4EALDH1A1RAB9AMAOB
SCHEMBL21994187 0.80 MEN1 (0.52) NPC1KDM4EALDH1A1RAB9AKMT2A
SCHEMBL21998502 0.80 MAPT (0.49) NPC1KDM4EALDH1A1RAB9AMAOB
SCHEMBL21998480 0.79 EPHX2 (0.70) NPC1KDM4EALDH1A1RAB9ATRPM8
SCHEMBL21933276 0.78 EPHX2 (0.65) NPC1KDM4EALDH1A1RAB9AMAOB
SCHEMBL21994188 0.78 RAB9A (0.61) NPC1KDM4EALDH1A1RAB9ATRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10829466-B2 Stilbene derivative and preparation method thereof BEIJING INSTITUTE OF TECHNOLOGY (CN) 2020-11-10 US disclosed
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF BEIJING INSTITUTE OF TECHNOLOGY (CN) 2020-05-14 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-10829466-B2 Stilbene derivative and preparation method thereof STS, F12, GLB1 NPC1 1617/4885KDM4E 4389/4885ALDH1A1 449/4885
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF STS, F12, STK38L NPC1 1139/4885KDM4E 4442/4885ALDH1A1 415/4885

“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.