SCHEMBL20402091

SCHEMBL20402091

O=C(O)CC=Cc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PNMT P11086 1/20 0.42
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
SRD5A2 P31213 1/20 0.38
PDE5A O76074 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MIF P14174 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL31132409 0.81 CA1 (0.49) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL2159269 0.79 PNMT (0.44) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL3952483 0.79 PNMT (0.52) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL23777720 0.79 PNMT (0.46) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL27762485 0.75 PNMT (0.43) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL5149871 0.75 PNMT (0.45) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL8675951 0.75 PNMT (0.40) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL30462691 0.75 PNMT (0.47) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL19418539 0.75 PNMT (0.47) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL3751213 0.75 NPC1 (0.47) NPC1RAB9APNMTHTR7HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10032993-B2 Aromatic heterocyclic compound, manufacturing method thereof, organic semiconductor material, and organic semiconductor device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2018-07-24 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 (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-10032993-B2 Aromatic heterocyclic compound, manufacturing method thereof, organic semiconductor material, and organic semiconductor device PAH, TYR, SLCO2A1 PAM 412/4885NPC1 3534/4885RAB9A 1992/4885

“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.