SCHEMBL459931

SCHEMBL459931

COc1cc(C#N)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.55
EGFR P00533 1/20 0.53
AR P10275 3/20 0.51
P4HB P07237 1/20 0.51
GUSB P08236 1/20 0.49
DYRK1A Q13627 1/20 0.49
CYP19A1 P11511 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
TRPA1 O75762 1/20 0.47
TRIM24 O15164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47

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
SCHEMBL29804271 1.00 MAOB (0.55) MAOBEGFRARP4HBGUSB
SCHEMBL388024 0.84 AR (0.51) ARP4HBCYP19A1ALDH1A1CA2
Methyl Alcohol SCHEMBL27451617 0.82 AR (0.50) ARP4HBCYP19A1ALDH1A1TSHR
SCHEMBL27758486 0.81 CALM1 (0.60) ARCYP19A1ALDH1A1TDP1CA2
SCHEMBL3671816 0.81 NFE2L2 (0.67) EGFRDYRK1ATRPA1TRIM24ALDH1A1
SCHEMBL3671817 0.81 NFE2L2 (0.67) EGFRDYRK1ATRPA1TRIM24ALDH1A1
SCHEMBL29490258 0.81 AR (0.66) ARMEN1KMT2AALDH1A1HPGD
SCHEMBL509522 0.81 AR (0.66) ARMEN1KMT2AALDH1A1HPGD
SCHEMBL4669307 0.80 ALDH1A1 (0.53) EGFRARP4HBGUSBDYRK1A
SCHEMBL911154 0.80 MAOB (0.55) MAOBEGFRSLC22A6SLC22A8MEN1

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 768 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118638067-A Novel bio-based epoxy curing agent containing triazole structure and preparation method of epoxy resin 大连理工大学 2024-09-13 CN claimed
CN-115368322-B Preparation method of novel bio-based epoxy resin containing cyano structure 大连理工大学 2024-05-17 CN claimed
CN-117567318-A Method for synthesizing hydroxybenzonitrile from lignin-based aromatic aldehyde 南京农业大学 2024-02-20 CN claimed
CN-115368322-A Preparation method of novel bio-based epoxy resin containing cyano structure 大连理工大学 2022-11-22 CN claimed
CN-107118128-B Preparation method of 3, 4-dihydroxy benzonitrile 常州佳德医药科技有限公司 2020-04-21 CN claimed
WO-2013173332-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN Vertichem Corporation (CA) 2013-11-21 WO claimed
US-20130232853-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN THESIS CHEMISTRY, LLC (US) 2013-09-12 US claimed
WO-2010026375-A1 PHARMACEUTICAL PREPARATION COMPRISING A CATECHIN LARKINS NICHOLAS JOHN (GB) 2010-03-11 WO claimed
EP-1066269-B1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2005-05-11 EP claimed
US-20040261198-A1 Restructuring and finishing of keratin fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2004-12-30 US claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
EP-0973767-A1 INDAZOLES OF CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS Dupont Pharmaceuticals Company (US) 2000-01-26 EP claimed
WO-1999050256-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 WO claimed
WO-1998043969-A1 INDAZOLES OF CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS DUPONT PHARMACEUTICALS COMPANY (US) 1998-10-08 WO claimed
EP-0743573-A2 Method for obtaining image contrast migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
EP-0743574-A2 Migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 US claimed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 US claimed
EP-0308227-B1 IMPROVED TEST FOR FECAL OCCULT BLOOD SMITHKLINE DIAGNOSTICS, INC. (US) 1992-07-22 EP claimed
EP-0308227-A1 Improved test for fecal occult blood SMITHKLINE DIAGNOSTICS, INC. (US) 1989-03-22 EP claimed

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-20130232853-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN HAAO, HAO2, HACL2 MAOB 513/4885EGFR 4878/4885AR 4428/4885

“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.