SCHEMBL1613096

SCHEMBL1613096

C[CH]c1ccc(C)c(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
TSHR P16473 1/20 0.32
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PAX8 Q06710 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
SCHEMBL7046008 0.80 KDM4E (0.35) KDM4EMAPTMAPK1CYP1A2CYP2A6
SCHEMBL1609965 0.76 TRPA1 (0.44) KDM4EMAPTCYP1A2CYP2A6TSHR
SCHEMBL57999 0.76 MAPT (0.33) KDM4EMAPTMAPK1CYP1A2CYP2A6
SCHEMBL366594 0.76 ALDH1A1 (0.48) KDM4EMAPTCYP1A2CYP2A6TSHR
SCHEMBL3514534 0.76 KDM4E (0.33) KDM4EMAPTMAPK1CYP1A2CYP2A6
SCHEMBL16957541 0.76 KDM4E (0.38) KDM4EMAPTMAPK1CYP1A2CYP2A6
SCHEMBL5494672 0.74 TSHR (0.45) KDM4EMAPTMAPK1CYP1A2CYP2A6
SCHEMBL37955 0.74 TSHR (0.45) KDM4EMAPTMAPK1CYP1A2CYP2A6
SCHEMBL1611471 0.74 KDM4E (0.32) KDM4EMAPTMAPK1CYP1A2CYP2A6
SCHEMBL1612882 0.72

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 KDM4E 1272/4885MAPT 3838/4885MAPK1 1601/4885

“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.