SCHEMBL1610885

SCHEMBL1610885

[CH]=CCCCCCc1cccc(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
BID P55957 3/20 0.35
BCL2L1 Q07817 3/20 0.35
MCL1 Q07820 3/20 0.35
BAK1 Q16611 3/20 0.35
F7 P08709 3/20 0.35
F3 P13726 3/20 0.35
MMP2 P08253 2/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
ECE1 P42892 1/20 0.35
SGMS1 Q86VZ5 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
MUS81 Q96NY9 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
TAAR1 Q96RJ0 1/20 0.32
CYSLTR2 Q9NS75 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
SCHEMBL1609954 1.00 ESR1 (0.35) ESR1ESR2BIDBCL2L1MCL1
SCHEMBL1612355 0.98 ESR1 (0.36) ESR1ESR2BIDBCL2L1MCL1
SCHEMBL1611077 0.93 ESR1 (0.37) ESR1ESR2MAPTHSD17B10TAAR1
SCHEMBL1611149 0.86 TAAR1 (0.47) BIDBCL2L1MCL1BAK1F7
SCHEMBL1610286 0.86 TAAR1 (0.47) BIDBCL2L1MCL1BAK1F7
SCHEMBL1610613 0.85 ESR1 (0.39) ESR1ESR2MAPTHSD17B10TAAR1
SCHEMBL29765276 0.85 ESR1 (0.43) ESR1ESR2BIDBCL2L1MCL1
SCHEMBL1612168 0.84 TYR (0.34)
SCHEMBL1610808 0.84 TYR (0.34)
SCHEMBL1609668 0.84 TAAR1 (0.48) MAPTTAAR1LIPGCHRM2SLC16A3

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 ESR1 1107/4885ESR2 721/4885BID 4017/4885

“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.