SCHEMBL20510862

SCHEMBL20510862

CS(=O)(=O)c1ccc(Oc2ccc(C#N)c(C#N)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.50
CYP19A1 P11511 1/20 0.48
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
GCK P35557 1/20 0.46
AR P10275 2/20 0.45
PDE4B Q07343 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
SLC22A12 Q96S37 3/20 0.43
SLC6A4 P31645 1/20 0.42
PLA2G7 Q13093 4/20 0.41

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
SCHEMBL6425726 0.87 CYP19A1 (0.50) CYP19A1ALDH1A1HPGDARPDE4B
SCHEMBL6424091 0.87 CYP19A1 (0.50) CYP19A1ALDH1A1HPGDARPDE4B
SCHEMBL5185726 0.86 EPAS1 (0.50) EPAS1GCKARSLC22A12SLC6A4
SCHEMBL7268296 0.84 PDE4B (0.51) CYP19A1ALDH1A1HPGDARPDE4B
SCHEMBL1377229 0.82 CYP19A1 (0.62) CYP19A1ALDH1A1HPGDARPDE4B
SCHEMBL9472016 0.82 CYP19A1 (0.62) CYP19A1ALDH1A1HPGDARPDE4B
SCHEMBL31403095 0.81 EPAS1 (0.54) EPAS1SLC22A12SLC6A4PLA2G7
SCHEMBL10051874 0.81 EPAS1 (0.55) EPAS1
SCHEMBL29390509 0.80 CYP19A1 (0.65) CYP19A1ALDH1A1HPGDARPDE4B
SCHEMBL4581525 0.80 CYP19A1 (0.65) CYP19A1ALDH1A1HPGDARPDE4B

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
CN-110461814-B Resin blends, prepregs and articles containing a phthalonitrile reactive diluent and a bisphthalonitrile resin 3M创新有限公司 2023-04-14 CN disclosed
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

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 EPAS1 2088/4885CYP19A1 3498/4885ALDH1A1 720/4885
US-11292891-B2 Resin blends containing a phthalonitrile reactive diluent and a diphthalonitrile resin, prepregs, and articles PNN, RPN1, DCXR EPAS1 2088/4885CYP19A1 3498/4885ALDH1A1 720/4885

“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.