SCHEMBL691687

SCHEMBL691687

CCCC[Sn](CCCC)(CCCC)c1cccc2cnccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
ALDH1A1 P00352 6/20 0.49
HTT P42858 3/20 0.49
TRPV1 Q8NER1 4/20 0.45
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
PRKD3 O94806 2/20 0.40
PRKCG P05129 2/20 0.40
PRKCB P05771 2/20 0.40
PRKCA P17252 2/20 0.40
NFKB1 P19838 2/20 0.40
PRKCH P24723 2/20 0.40
PRKCI P41743 2/20 0.40

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
SCHEMBL4306291 0.81 PRKCZ (0.35) LMNAALDH1A1HTTTRPV1CYP3A4
SCHEMBL1453289 0.80 HTR1B (0.40) ALDH1A1HTTKDM4EGLASMN1; SMN2
SCHEMBL15941363 0.75 KDM4E (0.53) LMNAALDH1A1HTTCYP3A4CYP2D6
SCHEMBL29720231 0.75 KDM4E (0.53) LMNAALDH1A1HTTCYP3A4CYP2D6
SCHEMBL6114998 0.73 TRPV1 (0.51) LMNAALDH1A1HTTTRPV1CYP3A4
SCHEMBL29094112 0.73 MEN1 (0.37) LMNAALDH1A1KDM4ECYP1A2MAPT
SCHEMBL6729852 0.72 L3MBTL1 (0.36) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL6114809 0.72 TRPV1 (0.52) LMNAALDH1A1HTTTRPV1CYP3A4
SCHEMBL29230986 0.72 KCNH2 (0.33)
SCHEMBL994930 0.71 LOXL2 (0.42) CYP3A4CYP2D6CYP2C9CYP2C19L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190659-A1 ANGIOGENESIS INHIBITORS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2012-07-26 US disclosed
EP-2421882-A2 ANGIOGENESIS INHIBITORS President and Fellows of Harvard College (US) 2012-02-29 EP disclosed
WO-2010123545-A2 ANGIOGENESIS INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-10-28 WO 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-20120190659-A1 ANGIOGENESIS INHIBITORS VEGFA, KDR, FLT1 LMNA 4612/4885ALDH1A1 614/4885HTT 4637/4885

“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.