SCHEMBL1611282

SCHEMBL1611282

[CH]=CCCCCc1ccc(C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
UCHL3 P15374 2/20 0.38
PYCR1 P32322 1/20 0.38
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
MAOB P27338 3/20 0.36
HTR2A P28223 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TYR P14679 1/20 0.35
FKBP1A P62942 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 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
SCHEMBL1610696 0.98 IDO1 (0.39) IDO1S1PR1S1PR3NPC1RAB9A
SCHEMBL1611347 0.98 IDO1 (0.39) IDO1S1PR1S1PR3NPC1RAB9A
SCHEMBL1611924 0.94 IDO1 (0.41) IDO1S1PR1S1PR3NPC1RAB9A
SCHEMBL1612433 0.86 IDO1 (0.44) IDO1NPC1RAB9ASMN1; SMN2UCHL3
SCHEMBL1610068 0.84 ALDH1A1 (0.37) NPC1RAB9ALMNAPKMHTR2A
SCHEMBL1609703 0.83 HTR2A (0.39) NPC1RAB9ALMNAHTR2AALDH1A1
SCHEMBL1611224 0.83 HTR2A (0.39) NPC1RAB9ALMNAHTR2AALDH1A1
SCHEMBL3205913 0.81 TYR (0.44) IDO1S1PR1S1PR3NPC1RAB9A
SCHEMBL3100611 0.79 CYP2C9 (0.38) NPC1RAB9ASMN1; SMN2PKMHTR2A
SCHEMBL1612040 0.79 ESR1 (0.44) LMNAHTR2AALDH1A1KDM4E

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-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 IDO1 174/4885S1PR1 1298/4885S1PR3 1397/4885

“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.