SCHEMBL711314

SCHEMBL711314

CCCCOC(CC)C[O]

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.43
LPAR1 Q92633 4/20 0.37
LPAR3 Q9UBY5 4/20 0.37
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
ATM Q13315 1/20 0.32
TLR2 O60603 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL8544387 0.93 DNM1 (0.52) DNM1LPAR1LPAR3ALDH1A1CNR1
SCHEMBL8545372 0.91 DNM1 (0.55) DNM1LPAR1LPAR3ALDH1A1CNR1
SCHEMBL711723 0.85
SCHEMBL12459746 0.85 DNM1 (0.50) DNM1LPAR1LPAR3CYP3A4ALDH1A1
SCHEMBL8202515 0.78 DNM1 (0.45) DNM1LPAR1LPAR3CYP3A4ALDH1A1
SCHEMBL13326798 0.78 DNM1 (0.45) DNM1LPAR1LPAR3CYP3A4ALDH1A1
SCHEMBL28858815 0.78 DNM1 (0.45) DNM1LPAR1LPAR3CYP3A4ALDH1A1
SCHEMBL28934674 0.77 DNM1 (0.50) DNM1LPAR1LPAR3ALDH1A1CNR1
SCHEMBL1904373 0.77 DNM1 (0.60) DNM1LPAR1LPAR3ALDH1A1CNR1
SCHEMBL11764032 0.76 DNM1 (0.43) DNM1LPAR1LPAR3CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239767-A2 COMPOSITIONS AND METHODS FOR PHARMACOLOGIC TREATMENT OF STROKE AND MYOCARDIAL ISCHEMIA REPERFUSION INJURY UNIVERSITY OF CONNECTICUT (US) 2023-12-14 WO disclosed
US-20210205322-A1 RICTOR-TARGETED THERAPY IN THE MANAGEMENT OF BRAIN METASTASES ALBERT EINSTEIN COLLEGE OF MEDICINE 2021-07-08 US disclosed
WO-2021030174-A1 TRUNCATED ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF UNIVERSITY OF CONNECTICUT (US) 2021-02-18 WO disclosed
EP-3099679-B1 ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF UNIV CONNECTICUT (US) 2020-05-20 EP disclosed
US-20180320177-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF LIVER FIBROSIS UNIVERSITY OF CONNECTICUT 2018-11-08 US disclosed
US-9650365-B2 Itraconazole analogues and methods of use thereof UNIVERSITY OF CONNECTICUT (US) 2017-05-16 US disclosed
WO-2017079227-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF LIVER FIBROSIS UNIVERSITY OF CONNECTICUT (US) 2017-05-11 WO disclosed
EP-3099679-A1 ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF University of Connecticut (US) 2016-12-07 EP disclosed
US-20160340346-A1 ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-24 US disclosed
EP-2237774-B1 THE USE OF 6-HALOGENO-(1,2,4)-TRIAZOLO-(1,5-a)-PYRIMIDINE COMPOUNDS FOR COMBATING PESTS IN AND ON ANIMALS MERIAL LTD (US) 2016-06-22 EP disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
US-5733850-A HERBICIDES, DESICCANTS OR DEFOLIANTS OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1998-03-31 US disclosed
EP-0802905-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-10-29 EP disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
WO-1996021645-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-07-18 WO disclosed
US-4532239-A N-phenoxypropanol-N'-pyridazinyl ethylendiamines as β-receptor blockers CASSELLA AKTIENGESELLSCHAFT (DE) 1985-07-30 US disclosed
EP-0054946-B1 BASIC SUBSTITUTED PYRIDAZINES, THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1984-08-15 EP disclosed
EP-0054946-A1 Basic substituted pyridazines, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1982-06-30 EP disclosed
US-4216314-A CARDIOSELECTIVE B-ADRENOLYTIC AGENTS, ANTIARRHYTHMIC AGENTS AND HYPOTENSIVE AGENTS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DE) 1980-08-05 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-20160340346-A1 ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF GLI1, SHH, SMO DNM1 634/4885LPAR1 4366/4885LPAR3 2794/4885
US-20210205322-A1 RICTOR-TARGETED THERAPY IN THE MANAGEMENT OF BRAIN METASTASES RICTOR, AKT2, MTOR DNM1 1882/4885LPAR1 2467/4885LPAR3 2820/4885
US-20180320177-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF LIVER FIBROSIS HMGB2, HMGB3, HMGB1 DNM1 1821/4885LPAR1 179/4885LPAR3 428/4885

“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.