SCHEMBL1609646

SCHEMBL1609646

CCCCC[CH]c1ccc(C)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
TUBB1 Q9H4B7 3/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
ALOX5 P09917 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
MAPT P10636 2/20 0.32
GLA P06280 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1611000 0.98 CNR1 (0.36) CNR1CNR2TUBB1CYP3A4CYP2D6
SCHEMBL1610718 0.98 CNR1 (0.36) CNR1CNR2TUBB1CYP3A4CYP2D6
SCHEMBL1610157 0.94 TUBB1 (0.37) CNR1CNR2TUBB1CYP3A4CYP2D6
SCHEMBL1611617 0.85 TUBB1 (0.39) TUBB1PTGS1PTGS2ALOX5ALDH1A1
Hexane SCHEMBL28362010 0.84 ALDH1A1 (0.43) TUBB1PTGS2ALDH1A1TSHRMAPT
SCHEMBL10608857 0.82 TNNC1 (0.46) CNR1CNR2TUBB1
SCHEMBL1611154 0.82 TSHR (0.38) TUBB1CYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL1612359 0.81 TUBB1 (0.41) TUBB1PTGS1PTGS2ALOX5ALDH1A1
SCHEMBL1610235 0.80 TSHR (0.41) ALDH1A1TSHR
SCHEMBL1611361 0.80 TSHR (0.41) ALDH1A1TSHR

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 CNR1 3215/4885CNR2 3192/4885TUBB1 2607/4885

“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.