SCHEMBL1805630

SCHEMBL1805630

CC(C)(C)Oc1cccc(N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.59
▸ CYP3A4 P08684 3/20 0.59
▸ TP53 P04637 1/20 0.53
▸ MAOB P27338 2/20 0.52
▸ CASP1 P29466 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ TSHR P16473 2/20 0.46
▸ MAPT P10636 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ APP P05067 1/20 0.41
▸ KIF11 P52732 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MITF O75030 1/20 0.39
▸ GAA P10253 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
SCHEMBL2027752 0.87 ALDH1A1 (0.59) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL29436308 0.87 ALDH1A1 (0.59) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL260934 0.84 KIF11 (0.47) ALDH1A1CYP3A4MAOBMAPTKIF11
SCHEMBL12024590 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL15458085 0.80 CYP3A4 (0.56) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL15457963 0.80 CYP3A4 (0.56) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL2229241 0.79 ALDH1A1 (0.50) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL29366090 0.78 CYP3A4 (0.54) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL1523 0.78 CYP3A4 (0.54) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL2668319 0.77 PPARA (0.54) ALDH1A1CYP3A4TP53MAOBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113801254-A Polypropylene catalyst and preparation method thereof 中国石油天然气股份有限公司 2021-12-17 — — CN claimed
WO-2023112764-A1 RELEASE LAYER-FORMING COMPOSITION AND RELEASE LAYER 日産化学株式会社 2023-06-22 — — WO disclosed
EP-3440073-B1 KINASE INHIBITORS OXULAR ACQUISITIONS LTD (GB) 2022-06-08 — — EP disclosed
EP-3184171-B1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2019-03-20 — — EP disclosed
US-10144752-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2018-12-04 — — US disclosed
US-9962689-B2 Phosphinyl formamidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2018-05-08 — — US disclosed
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP 2017-10-26 — — US disclosed
US-9732106-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2017-08-15 — — US disclosed
EP-3184171-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2017-06-28 — — EP disclosed
EP-2519532-B1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2017-03-08 — — EP disclosed
EP-2519532-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2012-11-07 — — EP disclosed
US-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-05 — — US disclosed
US-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-05 — — US disclosed
US-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 — — US disclosed
WO-2011082192-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2011-07-07 — — WO disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 — — US disclosed
US-5446189-A Diester intermediates for diacid enzyme inhibitor HOFFMANN-LA ROCHE INC. (US) 1995-08-29 — — US disclosed
US-5324747-A Treatment of inflammatory diseases HOFFMANN-LA ROCHE INC. (US) 1994-06-28 — — US disclosed
EP-0579066-A2 N-substituted anilines F. HOFFMANN-LA ROCHE AG (CH) 1994-01-19 — — EP disclosed
EP-0019158-B1 PROCESS FOR THE PRODUCTION OF M-SUBSTITUTED N-METHYLANILINES BASF Aktiengesellschaft (DE) 1982-09-15 — — 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 (5 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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS CUTA, MMP8, CLPP ALDH1A1 4784/4885CYP3A4 4878/4885TP53 1846/4885
US-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CYP3A5, CYP11B2, ABCB1 ALDH1A1 213/4885CYP3A4 69/4885TP53 950/4885
US-10144752-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins NIT2, NCLN, NPM1 ALDH1A1 4849/4885CYP3A4 4787/4885TP53 1644/4885
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 ALDH1A1 218/4885CYP3A4 1680/4885TP53 276/4885
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 ALDH1A1 4849/4885CYP3A4 4787/4885TP53 1644/4885

“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.

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