SCHEMBL43501

SCHEMBL43501

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
CYP1A1 P04798 7/20 0.42
CYP1B1 Q16678 7/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2E1 P05181 2/20 0.38
CYP2C8 P10632 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2A6 P11509 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP4B1 P13584 2/20 0.38
CYP2B6 P20813 2/20 0.38
CYP3A5 P20815 2/20 0.38
CYP2A7 P20853 2/20 0.38
CYP3A7 P24462 2/20 0.38
CYP2F1 P24903 2/20 0.38
CYP2C18 P33260 2/20 0.38
CYP2C19 P33261 2/20 0.38

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
SCHEMBL1376849 0.80 ALDH1A1 (0.55) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL278798 0.79 ALDH1A1 (0.61) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL9132402 0.77 ALDH1A1 (0.58) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL3788801 0.77 ALDH1A1 (0.58) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL31511037 0.75 ALDH1A1 (0.55) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL17089023 0.75 ALDH1A1 (0.55) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL29615355 0.75 ALDH1A1 (0.55) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL2776692 0.75 ALDH1A1 (0.55) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL19966741 0.75 ALDH1A1 (0.55) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL4126810 0.75 CA1 (0.55) ALDH1A1CA1CA2CYP3A4CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 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
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US disclosed
US-10953001-B2 Methods for treating post traumatic stress disorder AZEVAN PHARMACEUTICALS, INC. (US) 2021-03-23 US disclosed
EP-3351104-B1 COMPOUNDS FOR USE IN THE TREATMENT OF INTERMITTENT EXPLOSIVE DISORDER AZEVAN PHARMACEUTICALS INC (US) 2020-12-09 EP disclosed
US-20200276167-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS INC (US) 2020-09-03 US disclosed
US-20200102294-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-04-02 US disclosed
US-10364236-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2019-07-30 US disclosed
US-20190099410-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER AZEVAN PHARMACEUTICALS INC (US) 2019-04-04 US disclosed
US-20080113959-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AZEVAN PHARMACEUTICALS, INC. (US) 2008-05-15 US disclosed
US-20080090797-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AZEVAN PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-20080033165-A1 [Beta]-Lactamyl Vasopressin V1a Antagonists and Methods of Use KOPPEL GARY A 2008-02-07 US disclosed
WO-2007109615-A2 β -LACTAMYL VASOPRESSIN V2 ANTAGONISTS AZEVAN PHARMACEUTICALS, INC. (US) 2007-09-27 WO disclosed
WO-2007109098-A2 HYDROXY AND KETO-SUBSTITUTED β-LACTAMYL ALKANEDIOIC ACIDS AZEVAN PHARMACEUTICALS, INC. (US) 2007-09-27 WO disclosed
US-7268125-B2 β-lactamyl vasopressin V1a antagonists AZEVAN PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-20060281728-A1 3-Substituted beta-lactamyl vasopressin v1a antagonists AZEVAN PHARMACEUTICALS, INC. 2006-12-14 US disclosed
US-7119083-B2 β-Lactamyl vasopressin V1a Antagonists AZEVAN PHARMACEUTICALS, INC. (US) 2006-10-10 US disclosed
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-09-28 US disclosed
WO-2006102308-A2 BETA-LACTAMYL VASOPRESSIN V1B ANTAGONISTS AZEVAN PHARMACEUTICALS, INC. (US) 2006-09-28 WO 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 (14 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 1429/4885CYP1A1 3862/4885CYP1B1 3456/4885
US-20190099410-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER GPX4, CRH, TXN ALDH1A1 1136/4885CYP1A1 4398/4885CYP1B1 4297/4885
US-20200102294-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B ALDH1A1 3383/4885CYP1A1 4525/4885CYP1B1 4412/4885
US-20080090797-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AVPR1A, AVPR2, AVPR1B ALDH1A1 1190/4885CYP1A1 2286/4885CYP1B1 2165/4885
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists AVPR1A, AVPR2, AVPR1B ALDH1A1 1170/4885CYP1A1 2480/4885CYP1B1 2246/4885
US-10953001-B2 Methods for treating post traumatic stress disorder GPX4, CRH, TXN ALDH1A1 1136/4885CYP1A1 4398/4885CYP1B1 4297/4885
US-20060281728-A1 3-Substituted beta-lactamyl vasopressin v1a antagonists AVPR1A, AVPR2, AVPR1B ALDH1A1 1333/4885CYP1A1 2476/4885CYP1B1 2272/4885
US-20200276167-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT ALDH1A1 1429/4885CYP1A1 3862/4885CYP1B1 3456/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B ALDH1A1 3383/4885CYP1A1 4525/4885CYP1B1 4412/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B ALDH1A1 3383/4885CYP1A1 4525/4885CYP1B1 4412/4885
US-20080113959-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AVPR1A, AVPR2, AVPR1B ALDH1A1 1190/4885CYP1A1 2286/4885CYP1B1 2165/4885
US-10364236-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B ALDH1A1 3383/4885CYP1A1 4525/4885CYP1B1 4412/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT ALDH1A1 1429/4885CYP1A1 3862/4885CYP1B1 3456/4885
US-20080033165-A1 [Beta]-Lactamyl Vasopressin V1a Antagonists and Methods of Use AVPR2, AVPR1A, AVPR1B ALDH1A1 818/4885CYP1A1 2143/4885CYP1B1 1635/4885

“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.