SCHEMBL1609688

SCHEMBL1609688

[C]#CC(CCC)c1c2ccccc2cc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TLR8 Q9NR97 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 3/20 0.33
GPR84 Q9NQS5 2/20 0.33
DRD2 P14416 1/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
FFAR1 O14842 1/20 0.32
CYP1A2 P05177 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
CYP2A6 P11509 1/20 0.32
HIF1A Q16665 1/20 0.31
CYP1B1 Q16678 1/20 0.31
MAPT P10636 2/20 0.31

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
SCHEMBL1610851 0.90 TACR3 (0.36) HTR2AL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL1611932 0.89 MAPT (0.38) HTR2AL3MBTL1MEN1KMT2AATM
SCHEMBL1610411 0.86 HTR2A (0.37) HTR2AL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3741405 0.83 MEN1 (0.37) HTR2AL3MBTL1TLR8MEN1KMT2A
SCHEMBL1611543 0.80 PPARG (0.33) TLR8ALDH1A1DRD2PPARGPPARA
SCHEMBL8211958 0.77 NQO1 (0.45) HTR2AL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL1611569 0.77 ALDH1A1 (0.43) KMT2AALDH1A1CYP1A2
SCHEMBL1610212 0.75 UGT2B7 (0.40) MEN1KMT2APPARGPPARACYP1A2
SCHEMBL241213 0.74 MEN1 (0.40) HTR2AL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL17744722 0.74 MEN1 (0.40) HTR2AL3MBTL1MEN1KMT2AALDH1A1

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 HTR2A 599/4885L3MBTL1 236/4885TLR8 4323/4885

“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.