SCHEMBL1609668

SCHEMBL1609668

[CH]=CCCCCc1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
CHRM2 P08172 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
DAO P14920 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CYP19A1 P11511 1/20 0.35
LIPG Q9Y5X9 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPT P10636 1/20 0.34
P2RX7 Q99572 1/20 0.33
SLC16A3 O15427 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 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
SCHEMBL1611149 0.98 TAAR1 (0.47) TAAR1CHRM2GPR84DAOCA12
SCHEMBL1610286 0.98 TAAR1 (0.47) TAAR1CHRM2GPR84DAOCA12
SCHEMBL1612132 0.94 TAAR1 (0.50) TAAR1CHRM2GPR84DAOCA12
SCHEMBL1611530 0.86 TAAR1 (0.54) TAAR1CHRM2GPR84DAOCA12
SCHEMBL1612355 0.85 ESR1 (0.36) TAAR1MAPTKMT2A
SCHEMBL1609954 0.84 ESR1 (0.35) TAAR1CHRM2LIPGMAPTSLC16A3
SCHEMBL1610885 0.84 ESR1 (0.35) TAAR1CHRM2LIPGMAPTSLC16A3
SCHEMBL6546757 0.83 TAAR1 (0.65) TAAR1CHRM2GPR84DAOCA12
SCHEMBL7370538 0.82 TAAR1 (0.50) TAAR1CHRM2GPR84DAOCA12
SCHEMBL8086316 0.81 TAAR1 (0.62) TAAR1CHRM2GPR84DAOCA12

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 TAAR1 772/4885CHRM2 1066/4885GPR84 4196/4885

“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.