SCHEMBL5455751

SCHEMBL5455751

C=CCC(CC=C)n1ccnc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 15/20 0.40
▸ CYP17A1 P05093 3/20 0.39
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35

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
SCHEMBL17742983 0.89 CYP17A1 (0.39) CYP19A1CYP17A1
Hydrochloric Acid SCHEMBL27677533 0.87 CYP17A1 (0.38) CYP19A1CYP17A1
Bromide SCHEMBL29132745 0.87 CYP17A1 (0.38) CYP19A1CYP17A1
Iodide SCHEMBL27677510 0.87 CYP17A1 (0.38) CYP19A1CYP17A1
SCHEMBL28457281 0.86 CYP19A1 (0.35) CYP19A1CYP17A1CYP1A2CYP3A4CYP2D6
SCHEMBL2518955 0.86 CYP17A1 (0.41) CYP19A1CYP17A1
Bromide SCHEMBL28301180 0.84 CYP17A1 (0.40) CYP19A1CYP17A1
SCHEMBL28262511 0.83 CYP17A1 (0.38) CYP19A1CYP17A1
Hydrochloric Acid SCHEMBL28382553 0.81 CYP17A1 (0.39) CYP19A1CYP17A1
SCHEMBL28358109 0.81 TBXAS1 (0.41) CYP19A1CYP17A1CYP3A4CYP2D6

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-7220869-B2 Brønsted acidic room temperature ionic liquids each having a N-protonated lactam cation and method for preparing the same LANZHOU INSTITUTE OF CHEMICAL PHYSICS CHINESE ACADEMY OF SCIENCES (CN) 2007-05-22 — — US disclosed
US-20070021604-A1 Bronsted acidic room temperature ionic liquids each having a N-protonated lactam cation and method for preparing the same LANZHOU INSTITUTE OF CHEMICAL PHYSICS CHINESE ACADEMY OF SCIENCES 2007-01-25 — — 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-20070021604-A1 Bronsted acidic room temperature ionic liquids each having a N-protonated lactam cation and method for preparing the same SLC7A5, ALAD, SLC7A1 CYP19A1 3629/4885CYP17A1 2178/4885CYP1A2 4003/4885

“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.

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