SCHEMBL1610019

SCHEMBL1610019

C/C=[C]/c1c(C)cc(C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.36
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL1609943 0.75
SCHEMBL3113206 0.74 CYP1A2 (0.39) ALDH1A1CYP1A2CYP2A6
SCHEMBL1611090 0.74
SCHEMBL1610998 0.73 RAPGEF4 (0.32) RAPGEF4
SCHEMBL1610960 0.73 RAPGEF4 (0.32) RAPGEF4
SCHEMBL18050282 0.71 RAPGEF4 (0.43) RAPGEF4KDM4EALDH1A1LMNAGAA
SCHEMBL7067381 0.71 RAPGEF4 (0.43) RAPGEF4KDM4EALDH1A1LMNAGAA
SCHEMBL18050283 0.71 RAPGEF4 (0.43) RAPGEF4KDM4EALDH1A1LMNAGAA
SCHEMBL1609706 0.70 RAPGEF4 (0.30) RAPGEF4
SCHEMBL28494872 0.69 TTR (0.37) KDM4EALDH1A1LMNAMAPTCYP1A2

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 RAPGEF4 4209/4885KDM4E 1272/4885ALDH1A1 137/4885

“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.