SCHEMBL9502758

SCHEMBL9502758

N#Cc1ccc(Oc2cccc3ccccc23)cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
AR P10275 9/20 0.48
CYP19A1 P11511 1/20 0.47
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
PGGT1B P53609 1/20 0.46
MAOB P27338 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42

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
SCHEMBL28288024 0.87 GAA (0.46) ALDH1A1ARFNTAFNTBPGGT1B
SCHEMBL4175939 0.87 AR (0.66) ALDH1A1HPGDARFNTAFNTB
SCHEMBL8632247 0.85 ALDH1A1 (0.54) ALDH1A1HPGDARCYP19A1MAOB
SCHEMBL1940627 0.85 AR (0.57) ALDH1A1HPGDARCYP19A1MAOB
SCHEMBL4184859 0.83 AR (0.68) AR
SCHEMBL19280732 0.82 AR (0.52) ALDH1A1HPGDARCYP19A1MAOB
SCHEMBL21171208 0.81 CYP19A1 (0.42) ALDH1A1HPGDARCYP19A1FNTA
SCHEMBL6013913 0.80 AR (0.57) ALDH1A1HPGDARCYP19A1MAOB
SCHEMBL9746114 0.80 ALDH1A1 (0.56) ALDH1A1HPGDARCYP19A1MAOB
SCHEMBL27803814 0.79 CA1 (0.46) ALDH1A1HPGDARCYP19A1FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11292891-B2 Resin blends containing a phthalonitrile reactive diluent and a diphthalonitrile resin, prepregs, and articles 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-04-05 US disclosed
US-20200131336-A1 RESIN BLENDS CONTAINING A PHTHALONITRILE REACTIVE DILUENT AND A DIPHTHALONITRILE RESIN, PREPREGS, AND ARTICLES 3M INNOVATIVE PROPERTIES COMPANY 2020-04-30 US disclosed
EP-3601215-A1 RESIN BLENDS CONTAINING A PHTHALONITRILE REACTIVE DILUENT AND A DIPHTHALONITRILE RESIN, PREPREGS, AND ARTICLES 3M Innovative Properties Company (US) 2020-02-05 EP disclosed
WO-2018175025-A1 RESIN BLENDS CONTAINING A PHTHALONITRILE REACTIVE DILUENT AND A DIPHTHALONITRILE RESIN, PREPREGS, AND ARTICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-09-27 WO disclosed
US-5247060-A Curing phthalonitriles with acid THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1993-09-21 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-20200131336-A1 RESIN BLENDS CONTAINING A PHTHALONITRILE REACTIVE DILUENT AND A DIPHTHALONITRILE RESIN, PREPREGS, AND ARTICLES PNN, RPN1, DCXR ALDH1A1 720/4885HPGD 904/4885AR 2001/4885
US-11292891-B2 Resin blends containing a phthalonitrile reactive diluent and a diphthalonitrile resin, prepregs, and articles PNN, RPN1, DCXR ALDH1A1 720/4885HPGD 904/4885AR 2001/4885

“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.