SCHEMBL1612433

SCHEMBL1612433

[CH]=CCCc1ccc(C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
PYCR1 P32322 1/20 0.41
TYR P14679 1/20 0.39
MAOB P27338 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
FKBP1A P62942 1/20 0.37
RAB9A P51151 3/20 0.36
DHFR P00374 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
NPC1 O15118 2/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1611924 0.88 IDO1 (0.41) IDO1PYCR1TYRMAOBL3MBTL1
SCHEMBL1611282 0.86 IDO1 (0.40) IDO1PYCR1TYRMAOBL3MBTL1
SCHEMBL1611347 0.85 IDO1 (0.39) IDO1PYCR1TYRMAOBL3MBTL1
SCHEMBL1610696 0.85 IDO1 (0.39) IDO1PYCR1TYRMAOBL3MBTL1
SCHEMBL1610880 0.82 CYP2C9 (0.40) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL27345245 0.81 IDO1 (0.45) IDO1PYCR1TYRMAOBL3MBTL1
SCHEMBL10729588 0.79 IDO1 (0.56) IDO1PYCR1TYRMAOBL3MBTL1
SCHEMBL869709 0.79 TYR (0.48) IDO1PYCR1TYRL3MBTL1ALDH1A1
SCHEMBL933030 0.79 TYR (0.48) IDO1PYCR1TYRL3MBTL1ALDH1A1
SCHEMBL1611753 0.78 IDO1 (0.47) IDO1PYCR1TYRL3MBTL1ALDH1A1

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 174/4885PYCR1 1495/4885TYR 37/4885

“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.