SCHEMBL21156444

SCHEMBL21156444

CC(C)CCCOc1ccc(-n2ccnn2)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.74
NOTUM Q6P988 6/20 0.53
CYP2D6 P10635 5/20 0.43
CYP2C9 P11712 5/20 0.43
CYP1A2 P05177 4/20 0.43
CYP2C19 P33261 4/20 0.43
CYP3A4 P08684 4/20 0.43
KCNH2 Q12809 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RARB P10826 1/20 0.39
EPHX2 P34913 1/20 0.38
BRS3 P32247 1/20 0.38
MAPK1 P28482 1/20 0.37
KDM5B Q9UGL1 1/20 0.37

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
SCHEMBL13666464 0.85 CYP19A1 (1.00) CYP19A1NOTUMCYP2D6CYP2C9CYP1A2
SCHEMBL13526927 0.80 CYP19A1 (0.74) CYP19A1NOTUMCYP2D6CYP2C9CYP1A2
SCHEMBL13666599 0.79 CYP19A1 (0.77) CYP19A1NOTUMCYP3A4BRS3
SCHEMBL21156935 0.78 NOTUM (0.54) CYP19A1NOTUMBRS3KDM5B
SCHEMBL21156458 0.74 CYP2D6 (0.74) CYP19A1CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL21157730 0.73 NOTUM (0.67) NOTUM
SCHEMBL28166936 0.73 NOTUM (0.67) CYP19A1NOTUMCYP2C9CYP1A2
SCHEMBL17297776 0.72 NOTUM (0.62) CYP19A1NOTUMBRS3KDM5B
SCHEMBL10447781 0.72 NOTUM (0.78) CYP19A1NOTUMBRS3
SCHEMBL29084891 0.72 NOTUM (0.65) CYP19A1NOTUMCYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-07-11 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 (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-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 CYP19A1 709/4885NOTUM 3719/4885CYP2D6 285/4885

“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.