SCHEMBL3377786

SCHEMBL3377786

COc1ccc(N)c(CO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 1/20 0.52
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
THRB P10828 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GAA P10253 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
MCL1 Q07820 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
IDO1 P14902 2/20 0.46
ADRA1A P35348 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HSD17B10 Q99714 1/20 0.43
HTR2A P28223 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 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
SCHEMBL19783801 0.85 CYP2D6 (0.51) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL30189619 0.85 CYP2D6 (0.51) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL706675 0.84 ALDH1A1 (0.55) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL5058376 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL774393 0.82 ALDH1A1 (0.53) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL1911809 0.82 ALDH1A1 (0.53) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL2061056 0.81 KDM4E (0.50) ALDH1A1KDM4EIDO1ADRA1ATAAR1
SCHEMBL5009715 0.81 MEN1 (0.56) ALDH1A1CYP3A4MEN1MAPTKMT2A
SCHEMBL11715214 0.81 ALDH1A1 (0.48) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL774392 0.80 ALDH1A1 (0.57) ALDH1A1CYP3A4MEN1MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119098205-A Nitrogen-doped porous carbon-loaded cobalt monoatomic catalyst and preparation method and application thereof 南京理工大学 2024-12-10 CN claimed
EP-3796905-B1 ESTROGEN RECEPTOR BETA LIGANDS FOR THE PREVENTION AND TREATMENT OF MULTIPLE SCLEROSIS (MS) AND OTHER DEMYELINATING, INFLAMMATORY AND NEURODEGENERATIVE DISEASES UNIV ILLINOIS (US) 2025-08-06 EP disclosed
US-20250223264-A1 ESTROGEN RECEPTOR BETA LIGANDS FOR THE PREVENTION AND TREATMENT OF MULTIPLE SCLEROSIS (MS) AND OTHER DEMYELINATING, INFLAMMATORY AND NEURODEGENERATIVE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2025-07-10 US disclosed
US-12286407-B2 Estrogen receptor beta ligands for the prevention and treatment of multiple sclerosis (MS) and other demyelinating, inflammatory and neurodegenerative diseases THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2025-04-29 US disclosed
CN-119098205-A Nitrogen-doped porous carbon-loaded cobalt monoatomic catalyst and preparation method and application thereof 南京理工大学 2024-12-10 CN disclosed
US-20240124488-A1 AZA-CRYPTOPHANES, PROCESSES FOR PREPARATION THEREOF, AND THEIR USES UNIVERSITE DE CAEN NORMANDIE (FR) 2024-04-18 US disclosed
CN-117843515-A Aromatic amino acid derivative as LAT1 inhibitor and preparation method and application thereof 中国药科大学 2024-04-09 CN disclosed
CN-114031507-B Synthesis method of o-aminobenzyl alcohol compound 辽宁科信生物科技有限公司 2024-03-22 CN disclosed
EP-4284782-A1 AZA-CRYPTOPHANES, PROCESSES FOR PREPARATION THEREOF, AND THEIR USES Université de Caen Normandie (FR) 2023-12-06 EP disclosed
WO-2023219114-A1 MRNA CAP ANALOG AND METHOD FOR PRODUCING SAME, METHOD FOR PRODUCING MRNA, AND KIT ヤマサ醤油株式会社 2023-11-16 WO disclosed
US-4585588-A ANTIDEPRESSANTS BEECHAM GROUP P.L.C. (GB) 1986-04-29 US disclosed
US-4518597-A THROMBOSIS, ARTERIOSCLEROSIS, ANTITUMOR, ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1985-05-21 US disclosed
US-4504480-A DIAZABENZOCYCLOHEPTAFLUORENE DERIVATRIVES, ANTIDEPRESSANTS BEECHAM GROUP P.L.C. (GB) 1985-03-12 US disclosed
EP-0093922-A2 Benzoxazin-2-ones, their preparation and therapeutic agents containing these compounds Dr. Karl Thomae GmbH (DE) 1983-11-16 EP disclosed
EP-0088575-A2 Pentacyclic compounds BEECHAM GROUP PLC (GB) 1983-09-14 EP disclosed
US-4268510-A DEMETHANIZATION, METABOLISM, RUMEN IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-05-19 US disclosed
EP-0010348-A1 Heterocyclic trichloromethyl derivatives, process for their preparation and their use IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-04-30 EP disclosed
US-4101671-A ANTIULCEROGENICS BOEHRINGER INGELHEIM GMBH (DE) 1978-07-18 US disclosed
US-RE29628-E ANTIULCER, SECRETOLYTICS, ANTITUSSIVE BOEHRINGER INGELHEIM GMBH (DT) 1978-05-09 US disclosed
US-3950393-A ANTIULCER, ANTISECRETORY, ANTITUSSIVE AGENTS BOEHRINGER INGELHEIM GMBH (DT) 1976-04-13 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 (3 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-12286407-B2 Estrogen receptor beta ligands for the prevention and treatment of multiple sclerosis (MS) and other demyelinating, inflammatory and neurodegenerative diseases ESR2, ESRRG, GPER1 ALDH1A1 1027/4885CYP3A4 1246/4885MEN1 4465/4885
US-20250223264-A1 ESTROGEN RECEPTOR BETA LIGANDS FOR THE PREVENTION AND TREATMENT OF MULTIPLE SCLEROSIS (MS) AND OTHER DEMYELINATING, INFLAMMATORY AND NEURODEGENERATIVE DISEASES ESR2, ESRRG, GPER1 ALDH1A1 1027/4885CYP3A4 1246/4885MEN1 4465/4885
US-20240124488-A1 AZA-CRYPTOPHANES, PROCESSES FOR PREPARATION THEREOF, AND THEIR USES TET3, AZI2, INMT ALDH1A1 2601/4885CYP3A4 89/4885MEN1 123/4885

“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.