SCHEMBL4958516

SCHEMBL4958516

CC(C)(C#N)c1cc(CI)cc(C(C)(C)C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.49
UGT1A4 P22310 1/20 0.49
PDE4D Q08499 1/20 0.49
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL28381262 0.83 CYP19A1 (0.51) CYP19A1UGT1A4PDE4DESR1ESR2
SCHEMBL13265761 0.81 CYP19A1 (0.54) CYP19A1UGT1A4PDE4DESR1ESR2
SCHEMBL2258695 0.79 CYP19A1 (0.49) CYP19A1UGT1A4PDE4DESR1ESR2
SCHEMBL16527234 0.79 ESR1 (0.42) CYP19A1UGT1A4PDE4DESR1ESR2
SCHEMBL8072845 0.79 CYP19A1 (0.49) CYP19A1UGT1A4PDE4DESR1ESR2
SCHEMBL3173073 0.79 CYP19A1 (0.49) CYP19A1UGT1A4PDE4DESR1ESR2
SCHEMBL12123247 0.79 CYP19A1 (0.49) CYP19A1UGT1A4PDE4DESR1ESR2
SCHEMBL936470 0.79 CYP19A1 (0.49) CYP19A1UGT1A4PDE4DESR1ESR2
SCHEMBL8069078 0.76 CYP19A1 (0.46) CYP19A1UGT1A4PDE4D
SCHEMBL16238250 0.76 CYP19A1 (0.46) CYP19A1UGT1A4PDE4D

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-20080207915-A1 Process for the Preparation of 2,2'-[5-(1H-1,2,4-Triazole-1-Ylmethyl) -1,3-Phenylene] Di (2-Methylpropionitrile) USV LIMITED (IN) 2008-08-28 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 (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-20080207915-A1 Process for the Preparation of 2,2'-[5-(1H-1,2,4-Triazole-1-Ylmethyl) -1,3-Phenylene] Di (2-Methylpropionitrile) CYP19A1, CYP11A1, HCN2 CYP19A1 1/4885UGT1A4 2895/4885PDE4D 3218/4885

“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.