SCHEMBL1610892

SCHEMBL1610892

CCCCCCC[CH]c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
CYP2A6 P11509 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 2/20 0.38
MCHR1 Q99705 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNH2 Q12809 2/20 0.36
TNNC1 P63316 1/20 0.35
FAAH O00519 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
NFE2L2 Q16236 1/20 0.34
MGLL Q99685 1/20 0.33

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
SCHEMBL1611160 1.00 HTT (0.44) HTTCYP2A6L3MBTL1TSHRMCHR1
SCHEMBL1610243 0.98 CYP2A6 (0.44) HTTCYP2A6L3MBTL1TSHRMCHR1
SCHEMBL1612718 0.91 CYP2A6 (0.46) HTTCYP2A6L3MBTL1TSHRMCHR1
SCHEMBL1611178 0.82 CYP2A6 (0.50) CYP2A6L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6320373 0.82 ALDH1A1 (0.39) TSHRNPC1RAB9ASMN1; SMN2KCNH2
SCHEMBL2323474 0.82 ALDH1A1 (0.52)
SCHEMBL11146710 0.82 KCNH2 (0.47) L3MBTL1SMN1; SMN2KCNH2
SCHEMBL1611201 0.82 ALDH1A1 (0.43) TSHRSMN1; SMN2TNNC1
SCHEMBL1610247 0.82 ALDH1A1 (0.43) TSHRSMN1; SMN2TNNC1
SCHEMBL304116 0.81 TDP1 (0.47) TSHRSMN1; SMN2FAAH

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 HTT 774/4885CYP2A6 1465/4885L3MBTL1 236/4885

“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.