SCHEMBL1611458

SCHEMBL1611458

[CH2]CCCCCc1cccc(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
TAAR1 Q96RJ0 1/20 0.35
TRPA1 O75762 1/20 0.34
ATM Q13315 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
CHRM2 P08172 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33
SLC16A3 O15427 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
BID P55957 3/20 0.33
MCL1 Q07820 3/20 0.33
BCL2L1 Q07817 2/20 0.33
BAK1 Q16611 2/20 0.33
KAT8 Q9H7Z6 2/20 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
SCHEMBL1610201 1.00 ESR1 (0.38) ESR1ESR2TAAR1TRPA1ATM
SCHEMBL1612512 1.00 ESR1 (0.38) ESR1ESR2TAAR1TRPA1ATM
SCHEMBL1611262 0.98 ESR1 (0.39) ESR1ESR2TAAR1TRPA1ATM
SCHEMBL1611500 0.92 ESR1 (0.40) ESR1ESR2TAAR1TRPA1ATM
SCHEMBL29765276 0.90 ESR1 (0.43) ESR1ESR2TAAR1TRPA1ATM
SCHEMBL1610409 0.84 TAAR1 (0.52) TAAR1LIPGCHRM2SLC16A3KMT2A
SCHEMBL9303855 0.84 TAAR1 (0.52) TAAR1LIPGCHRM2SLC16A3KMT2A
SCHEMBL1610545 0.84 TAAR1 (0.52) TAAR1LIPGCHRM2SLC16A3KMT2A
SCHEMBL1610239 0.84 TAAR1 (0.52) TAAR1LIPGCHRM2SLC16A3KMT2A
SCHEMBL1610124 0.84 ESR1 (0.42) ESR1ESR2TAAR1TRPA1ATM

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 721/4885TAAR1 772/4885

“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.