SCHEMBL1609454

SCHEMBL1609454

[CH]=CCCCc1cccc2cc3ccccc3cc12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.37
GPR84 Q9NQS5 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
TLR8 Q9NR97 1/20 0.34
HTR2A P28223 1/20 0.34
NQO2 P16083 1/20 0.33
MTNR1B P49286 2/20 0.32
SIGMAR1 Q99720 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
SCHEMBL1611800 0.95 MTNR1A (0.36) MTNR1AGPR84KDM4EALDH1A1GAA
SCHEMBL1611239 0.94 MTNR1A (0.35) MTNR1AGPR84MTNR1BSIGMAR1
SCHEMBL1610270 0.94 MTNR1A (0.35) MTNR1AGPR84MTNR1BSIGMAR1
SCHEMBL1611120 0.90 ALDH1A1 (0.36) MTNR1AKDM4EALDH1A1GAAHTR2A
SCHEMBL1610599 0.84 CYP1A2 (0.46) MTNR1AGPR84NQO2SIGMAR1
SCHEMBL7190938 0.83 MTNR1A (0.40) MTNR1AGPR84KDM4EALDH1A1GAA
SCHEMBL9858830 0.80 ALDH1A1 (0.44) MTNR1AKDM4EALDH1A1GAAHTR2A
SCHEMBL1609446 0.79 GPR84 (0.44) MTNR1AGPR84NQO2SIGMAR1
SCHEMBL1612210 0.79 ALDH1A1 (0.38) KDM4EALDH1A1GAAHTR2A
SCHEMBL7182839 0.79 MTNR1A (0.39) MTNR1AGPR84KDM4EALDH1A1GAA

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 MTNR1A 2157/4885GPR84 4196/4885KDM4E 1272/4885

“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.