SCHEMBL15979326

SCHEMBL15979326

CCCC(C)(CC)c1cn[nH]c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
KCNH2 Q12809 1/20 0.34
LMNA P02545 1/20 0.33
APEX1 P27695 1/20 0.33
PMP22 Q01453 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 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
SCHEMBL24862866 0.92 CYP19A1 (0.37) CYP19A1KCNH2LMNAAPEX1PMP22
SCHEMBL19660079 0.89 CYP19A1 (0.33) CYP19A1KCNH2LMNAAPEX1PMP22
SCHEMBL23921402 0.88 KCNH2 (0.39) CYP19A1KCNH2LMNAAPEX1PMP22
SCHEMBL20282303 0.86 CNR2 (0.32) CYP19A1KCNH2
SCHEMBL21334979 0.81 CYP19A1 (0.35) CYP19A1KCNH2LMNAAPEX1PMP22
SCHEMBL20868780 0.81 CYP19A1 (0.37) CYP19A1KCNH2LMNAAPEX1PMP22
SCHEMBL20830112 0.79 CNR2 (0.33) CYP19A1KCNH2LMNAAPEX1PMP22
SCHEMBL19261340 0.79 CNR2 (0.33) CYP19A1KCNH2LMNAAPEX1PMP22
SCHEMBL25121111 0.79 CNR2 (0.33) CYP19A1KCNH2LMNAAPEX1PMP22
SCHEMBL21419346 0.77 CNR2 (0.33) CYP19A1KCNH2LMNAAPEX1PMP22

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-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-01-29 US disclosed
US-20140243292-A1 SUBSITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-08-28 US 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 (2 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-20140243292-A1 SUBSITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, CACNA1E, SLC8B1 CYP19A1 3222/4885KCNH2 107/4885LMNA 2019/4885
US-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water SOD1, MPO, TFRC CYP19A1 4510/4885KCNH2 1845/4885LMNA 4670/4885

“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.