SCHEMBL43447

SCHEMBL43447

COc1cc(C[NH])cc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
CYP19A1 P11511 1/20 0.47
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
CALM1 P0DP23 4/20 0.44
AKR1B1 P15121 1/20 0.44
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 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
SCHEMBL7558508 0.80 CYP19A1 (0.53) ALDH1A1CYP19A1CYP1A1CYP1B1CALM1
SCHEMBL29003102 0.78 ALDH1A1 (0.50) ALDH1A1CYP19A1CYP1A1CYP1B1CALM1
SCHEMBL9491787 0.78 CYP19A1 (0.68) ALDH1A1CYP19A1CYP1A1CYP1B1CALM1
SCHEMBL5252553 0.78 ALDH1A1 (0.65) ALDH1A1CYP19A1CYP1A1CYP1B1CALM1
SCHEMBL42953 0.77 TAAR1 (0.60)
1,3,5-Trimethoxybenzene SCHEMBL28493 0.76 ALDH1A1 (1.00) ALDH1A1CYP19A1CYP1A1CYP1B1CYP1A2
SCHEMBL88823 0.76 ALDH1A1 (0.61) ALDH1A1CYP19A1CYP1A1CYP1B1CALM1
SCHEMBL691157 0.75 ALDH1A1 (0.52) ALDH1A1CYP19A1CYP1A1CYP1B1CALM1
SCHEMBL1162423 0.75 ALDH1A1 (0.52) ALDH1A1CYP19A1CYP1A1CYP1B1CALM1
SCHEMBL402666 0.74 ALDH1A1 (0.58) ALDH1A1CYP19A1CYP1A1CYP1B1CALM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DISCOVERY PARTNERS INTERNATIONAL, INC. 2002-05-16 US claimed
EP-0635508-B1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS ASAHI CHEMICAL IND (JP) 1999-10-06 EP claimed
US-5621103-A 3-(SUBSTITUTED METHYLAMINOCARBONYL)-1,2,3,4-TETRAHYDRO-(1)BENZOTHIENO(2,3-C) PYRIDINES; ANXIOLYTIC AGENTS; LEARNING ENHANCEMENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-04-15 US claimed
EP-0635508-A1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-01-25 EP claimed
US-5332811-A Antitumor intermediates THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1994-07-26 US claimed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US disclosed
EP-3229771-B1 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF UNIV PALACKEHO (CZ) 2024-04-03 EP disclosed
US-20230203096-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-29 US disclosed
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AZEVAN PHARMACEUTICALS INC (US) 2023-04-20 US disclosed
US-11628160-B2 Compositions and methods for treating brain injury AZEVAN PHARMACEUTICALS, INC. (US) 2023-04-18 US disclosed
EP-4139326-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-01 EP disclosed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US disclosed
WO-2005035492-A1 3-SUBSTITUTED β-LACTAMYL VASOPRESSIN V1A ANTAGONISTS SERENIX PHARMACEUTICALS, LLC. (US) 2005-04-21 WO disclosed
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EPERIMENTALNI BOTANIKY AKADEMI VED CESKE REPUBILIKY (CZ) 2005-02-24 US disclosed
US-20020103381-A1 Method for the synthesis of pyrazolines CHEMRX ADVANCED TECHNOLOGIES, INC. 2002-08-01 US disclosed
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DISCOVERY PARTNERS INTERNATIONAL, INC. 2002-05-16 US disclosed
EP-0635508-B1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS ASAHI CHEMICAL IND (JP) 1999-10-06 EP disclosed
US-5621103-A 3-(SUBSTITUTED METHYLAMINOCARBONYL)-1,2,3,4-TETRAHYDRO-(1)BENZOTHIENO(2,3-C) PYRIDINES; ANXIOLYTIC AGENTS; LEARNING ENHANCEMENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-04-15 US disclosed
EP-0635508-A1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-01-25 EP disclosed
US-5332811-A Antitumor intermediates THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1994-07-26 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-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT ALDH1A1 1429/4885CYP19A1 3972/4885CYP1A1 3862/4885
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds ATIC, UMPS, CCNB1 ALDH1A1 2065/4885CYP19A1 584/4885CYP1A1 2027/4885
US-20020103381-A1 Method for the synthesis of pyrazolines CYP2F1, CYP2E1, CYP3A7 ALDH1A1 223/4885CYP19A1 35/4885CYP1A1 11/4885
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DNPEP, LNPEP, NPEPPS ALDH1A1 3560/4885CYP19A1 4679/4885CYP1A1 4818/4885
US-20230203096-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF EPHA4, EPHA1, EPHA5 ALDH1A1 1458/4885CYP19A1 1213/4885CYP1A1 2581/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B ALDH1A1 3383/4885CYP19A1 2596/4885CYP1A1 4525/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B ALDH1A1 3383/4885CYP19A1 2596/4885CYP1A1 4525/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT ALDH1A1 1429/4885CYP19A1 3972/4885CYP1A1 3862/4885

“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.