SCHEMBL77088

SCHEMBL77088

COc1ccc(N)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.56
ALDH1A1 P00352 5/20 0.52
CYP3A4 P08684 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
THRB P10828 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
ACHE P22303 1/20 0.43
EPHX2 P34913 3/20 0.43
PGR P06401 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
SCHEMBL29961263 1.00 FFAR4 (0.56) FFAR4ALDH1A1CYP3A4L3MBTL1RAB9A
SCHEMBL5958670 0.85 ALDH1A1 (0.48) FFAR4ALDH1A1CYP3A4L3MBTL1RAB9A
SCHEMBL9385964 0.84 ALDH1A1 (0.52) FFAR4ALDH1A1CYP3A4L3MBTL1RAB9A
SCHEMBL710315 0.83 NR4A1 (0.54) FFAR4ALDH1A1L3MBTL1RAB9AMAPT
SCHEMBL8146457 0.82 NR4A1 (0.52) FFAR4ALDH1A1CYP3A4L3MBTL1RAB9A
SCHEMBL16372579 0.82 ALDH1A1 (0.53) FFAR4ALDH1A1CYP3A4MAPTMEN1
SCHEMBL4628852 0.81 EPHX2 (0.46) EPHX2PGRARCYP11B1CYP11B2
SCHEMBL3722072 0.80 FFAR4 (0.56) FFAR4CYP3A4RAB9AKDM4EGAA
SCHEMBL197560 0.79 FFAR4 (0.43) FFAR4ALDH1A1KMT2ASMN1; SMN2AR
SCHEMBL4230857 0.79 KMT2A (0.54) FFAR4ALDH1A1CYP3A4L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117177975-B Pyrimido [5,4, D ] pyrimidine compounds, compositions comprising the same and uses thereof 蒙特利尔大学 2026-05-19 CN disclosed
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
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-11993591-B2 Chromen-4-one derivatives for the treatment and prophylaxis of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2024-05-28 US disclosed
EP-4326723-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-02-28 EP disclosed
CN-117177975-A Pyrimido [5,4, D ] pyrimidine compounds, compositions comprising the same and uses thereof 蒙特利尔大学 2023-12-05 CN disclosed
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2023-11-16 US disclosed
US-20230357161-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 2023-11-09 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
WO-2007016353-A2 SUBSTITUTED TETRAHYDRO-1H-PYRIDO[4,3,B]INDOLES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-08 WO disclosed
US-20070027178-A1 Substituted tetrahydro-1H-pyrido[4,3-b]indoles as serotonin receptors agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-02-01 US disclosed
EP-1687285-A1 THIAZOLE AND PYRAZOLE DERIVATIVES AS FLT-3 KINASE INHIBITORS Novartis AG (CH) 2006-08-09 EP disclosed
WO-2005047273-A1 THIAZOLE AND PYRAZOLE DERIVATIVES AS FLT-3 KINASE INHIBITORS NOVARTIS AG (CH) 2005-05-26 WO disclosed
US-6835745-B2 Treating or inhibiting osteoporosis or bone demineralization, inflammatory bowel disease, prostatic hypertrophy, uterine leiomyomas, breast cancer, endometriosis, endometrial cardiovascular disease, Alzheimer's disease WYETH 2004-12-28 US disclosed
US-20030199570-A1 Phenyl substituted thiophenes as estrogenic agents WYETH 2003-10-23 US disclosed
US-5304554-A Intercalators of DNA, inhibit replication of retroviruses EMORY UNIVERSITY (US) 1994-04-19 US disclosed
US-4879398-A Process for producing 2,6-disubstituted tyrosine MONSANTO COMPANY (US) 1989-11-07 US disclosed
US-4218373-A FOR DYEING WOOL AND POLYAMIDES, DEEP RED TO VIOLET BAYER AKTIENGESELLSCHAFT (DE) 1980-08-19 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 (8 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-20070027178-A1 Substituted tetrahydro-1H-pyrido[4,3-b]indoles as serotonin receptors agonists and antagonists HTR2B, HTR1A, HTR3B FFAR4 73/4885ALDH1A1 1702/4885CYP3A4 265/4885
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 FFAR4 276/4885ALDH1A1 1027/4885CYP3A4 1246/4885
US-11993591-B2 Chromen-4-one derivatives for the treatment and prophylaxis of hepatitis B virus disease HAVCR2, CYP7A1, CYP26B1 FFAR4 2126/4885ALDH1A1 629/4885CYP3A4 17/4885
US-20030199570-A1 Phenyl substituted thiophenes as estrogenic agents ESR2, ESR1, GPER1 FFAR4 293/4885ALDH1A1 1071/4885CYP3A4 376/4885
US-20230357161-A1 ESTROGEN RECEPTOR BETA LIGANDS FOR THE PREVENTION AND TREATMENT OF MULTIPLE SCLEROSIS (MS) AND OTHER DEMYELINATING, INFLAMMATORY AND NEURODEGENERATIVE DISEASES ESR2, ESRRG, GPER1 FFAR4 276/4885ALDH1A1 1027/4885CYP3A4 1246/4885
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS FFAR4 2861/4885ALDH1A1 1786/4885CYP3A4 2214/4885
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER DCK, DTYMK, TYMP FFAR4 3920/4885ALDH1A1 1620/4885CYP3A4 1178/4885
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 FFAR4 276/4885ALDH1A1 1027/4885CYP3A4 1246/4885

“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.