SCHEMBL5013425

SCHEMBL5013425

Cc1ccc2occ(C)c(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAOB P27338 8/20 0.54
TSHR P16473 3/20 0.52
USP2 O75604 1/20 0.52
MAOA P21397 2/20 0.50
RAB9A P51151 1/20 0.48
THRB P10828 1/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7600910 0.85 MAPT (0.50) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4454971 0.84 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9056199 0.81 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29116198 0.81 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30649150 0.81 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5679743 0.81 PTPN1 (0.61) ALDH1A1MAOBMAOAGAAMAPT
SCHEMBL14384453 0.81 PTPN1 (0.61) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8773392 0.81 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17734362 0.81 PTPN1 (0.61) ALDH1A1MAOBMAOATHRBGAA
SCHEMBL16982170 0.81 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014764-A1 N-myristoyltransferase inhibitor compositions and methods of use SMITH CHARLES D (US) 2004-01-22 US claimed
EP-4680612-A1 CHEMICAL COMPOUNDS AN2 Therapeutics, Inc. (US) 2026-01-21 EP disclosed
EP-4611899-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE Petra Pharma Corporation (US) 2025-09-10 EP disclosed
WO-2024192309-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2024-09-19 WO disclosed
WO-2024097172-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PETRA PHARMA CORPORATION (US) 2024-05-10 WO disclosed
CN-117597343-A Allosteric ketene inhibitors of phosphoinositide 3-kinase (PI 3K) for the treatment of disease 佩特拉制药公司 2024-02-23 CN disclosed
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
US-9718799-B2 3-aryl-4H-chromene-4-ones as antineoplastic agents for the treatment of cancer UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2017-08-01 US disclosed
US-20160332981-A1 3-ARYL-4H-CHROMENE-4-ONES AS ANTINEOPLASTIC AGENTS FOR THE TREATMENT OF CANCER UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2016-11-17 US disclosed
US-7732416-B2 For protecting plants against parasitic feeding pests; also against the infestation of pets, especially cats and dogs, by fleas, ticks and nematodes; pesticides for crop protection MERIAL LIMITED (US) 2010-06-08 US disclosed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US disclosed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US disclosed
US-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction RENOVIS, INC. 2006-09-28 US disclosed
WO-2004064842-A1 AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO disclosed
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
US-20040014764-A1 N-myristoyltransferase inhibitor compositions and methods of use SMITH CHARLES D (US) 2004-01-22 US disclosed
US-4153707-A Fungicidal isoxazolyl phenols and method of use THE UPJOHN COMPANY (US) 1979-05-08 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 (5 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-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction PARK7, UACA, PTGER4 ALDH1A1 1289/4885CYP3A4 1125/4885CYP2D6 1291/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 ALDH1A1 3640/4885CYP3A4 1221/4885CYP2D6 1155/4885
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 ALDH1A1 3412/4885CYP3A4 610/4885CYP2D6 933/4885
US-20040014764-A1 N-myristoyltransferase inhibitor compositions and methods of use NMT2, NMT1, MBOAT1 ALDH1A1 4793/4885CYP3A4 3885/4885CYP2D6 3487/4885
US-20160332981-A1 3-ARYL-4H-CHROMENE-4-ONES AS ANTINEOPLASTIC AGENTS FOR THE TREATMENT OF CANCER KLK3, NCOA3, CYP46A1 ALDH1A1 482/4885CYP3A4 101/4885CYP2D6 253/4885

“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.