SCHEMBL22284141

SCHEMBL22284141

CCCCc1[c][c][c][c]c1C

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8426122 0.72 NPC1 (0.33) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL1659876 0.65 HTT (0.37) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL4633204 0.63 NPC1 (0.48) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL20183557 0.62
SCHEMBL15234704 0.62 HTT (0.42) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL11659083 0.60 THRB (0.36) HTT
Hexamethylbenzene SCHEMBL27477496 0.59 TSHR (0.58)
SCHEMBL28158365 0.56 HTT (0.42) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL21616439 0.55
SCHEMBL5679424 0.55 TSHR (0.50) NPC1HPGDMAPK1HTTRAB9A

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-20200247739-A1 COMPOUND, RESIN, COMPOSITION, PATTERN FORMATION METHOD, AND PURIFICATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-08-06 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-20200247739-A1 COMPOUND, RESIN, COMPOSITION, PATTERN FORMATION METHOD, AND PURIFICATION METHOD CROCC, RDX, RBBP9 NPC1 2401/4885HPGD 3925/4885MAPK1 4344/4885

“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.