SCHEMBL20510941

SCHEMBL20510941

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.61
MAPT P10636 2/20 0.61
RAB9A P51151 1/20 0.61
ALDH1A1 P00352 3/20 0.50
ESRRA P11474 1/20 0.50
AR P10275 4/20 0.49
CYP19A1 P11511 1/20 0.48
PARP15 Q460N3 2/20 0.45
PARP10 Q53GL7 2/20 0.45
PARP2 Q9UGN5 2/20 0.45
PDE4B Q07343 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
TNKS O95271 1/20 0.41
PARP14 Q460N5 1/20 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
SCHEMBL30360750 1.00 HPGD (0.61) HPGDMAPTRAB9AALDH1A1ESRRA
SCHEMBL19292786 0.87 CYP19A1 (0.50) HPGDMAPTRAB9AALDH1A1AR
SCHEMBL2955745 0.85 PARP15 (0.51) HPGDALDH1A1CYP19A1PARP15PARP10
SCHEMBL4258396 0.84 CA1 (0.50) HPGDMAPTRAB9AALDH1A1AR
SCHEMBL4174817 0.83 AR (0.68) ESRRAAR
SCHEMBL9472016 0.82 CYP19A1 (0.62) HPGDALDH1A1ARCYP19A1PDE4B
SCHEMBL1377229 0.82 CYP19A1 (0.62) HPGDALDH1A1ARCYP19A1PDE4B
SCHEMBL23417642 0.81 POLB (0.57) HPGDALDH1A1CYP19A1PARP15PARP10
SCHEMBL12256412 0.81 CYP19A1 (0.52) HPGDALDH1A1ARCYP19A1PARP15
SCHEMBL14094399 0.81 CA12 (0.47) HPGDMAPTRAB9AALDH1A1AR

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 4 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-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 (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-20200131336-A1 RESIN BLENDS CONTAINING A PHTHALONITRILE REACTIVE DILUENT AND A DIPHTHALONITRILE RESIN, PREPREGS, AND ARTICLES PNN, RPN1, DCXR HPGD 904/4885MAPT 579/4885RAB9A 4333/4885

“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.