SCHEMBL19280732

SCHEMBL19280732

N#Cc1ccc(Oc2cccc3c(O)cccc23)cc1C#N

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.52
CYP19A1 P11511 2/20 0.44
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAOB P27338 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE4B Q07343 1/20 0.39

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
SCHEMBL19280729 0.84 AR (0.69) ARCYP19A1ALDH1A1MAOBHPGD
SCHEMBL9502758 0.82 ALDH1A1 (0.48) ARCYP19A1IMPDH2IMPDH1ALDH1A1
SCHEMBL27579557 0.81 AR (0.42) ARIMPDH2IMPDH1SMN1; SMN2
SCHEMBL9710755 0.80 CYP11B1 (0.49) ARCYP19A1SMN1; SMN2PDE4B
SCHEMBL1940627 0.79 AR (0.57) ARCYP19A1ALDH1A1MAOBHPGD
SCHEMBL23795061 0.76 AR (0.55) ARCYP19A1ALDH1A1MAOBHPGD
SCHEMBL23795084 0.76 CYP19A1 (0.50) ARCYP19A1ALDH1A1MAOBHPGD
SCHEMBL23795062 0.76 AR (0.55) ARCYP19A1
SCHEMBL23795081 0.76 AR (0.51) ARCYP19A1ALDH1A1MAOBHPGD
SCHEMBL13327517 0.75 AR (0.53) ARCYP19A1ALDH1A1MAOBHPGD

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
EP-3521340-A1 A PHTHALONITRILE MONOMER MODIFIED BY ORGANOPHOSPHATE FRAGMENTS, A METHOD FOR OBTAINING SAME, A BINDER BASED THEREON, AND A PREPREG Joint Stock Company Scientific and Production Association "Unichimtek" (JSC PSA "Unichimtek) (RU) 2019-08-07 EP disclosed
US-20190218235-A1 Phthalonitrile Monomer Modified with Organophosphorus Fragments, a Method of Producing thereof, a Binder Based Thereon, and a Prepreg JOINT STOCK COMPANY SCIENTIFIC AND PRODUCTION ASSOCIATION "UNICHIMTEK" (JSC PSA "UNICHIMTEK") (RU) 2019-07-18 US disclosed
EP-3211023-A1 PHTHALONITRILE MONOMER MODIFIED WITH ORGANOSILICON FRAGMENTS Joint Stock Company Scientific and Production Association "Unichimtek" (JSC PSA "Unichimtek) (RU) 2017-08-30 EP 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-20190218235-A1 Phthalonitrile Monomer Modified with Organophosphorus Fragments, a Method of Producing thereof, a Binder Based Thereon, and a Prepreg THEM6, NOTUM, PNN AR 2119/4885CYP19A1 1229/4885IMPDH2 3189/4885

“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.