SCHEMBL14799799

SCHEMBL14799799

CC(C)c1cccc(C(C)C)c1OC(=O)CCCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44

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
SCHEMBL6535664 0.97 SCN5A (0.44) SCN5ASCN9ASCN10A
SCHEMBL4126064 0.90 SCN5A (0.46) SCN5ASCN9ASCN10A
SCHEMBL14816076 0.86 SCN5A (0.45) SCN5ASCN9ASCN10A
SCHEMBL27709035 0.84 POLM (0.49)
SCHEMBL14815784 0.84 SCN5A (0.44) SCN5ASCN9ASCN10A
SCHEMBL29998258 0.84 ATM (0.45)
SCHEMBL17372982 0.83 POLM (0.51)
SCHEMBL9754189 0.82 SCN5A (0.47) SCN5ASCN9ASCN10A
SCHEMBL21574518 0.82 SCN5A (0.48) SCN5ASCN9ASCN10A
SCHEMBL13448904 0.79 SCN5A (0.48) SCN5ASCN9ASCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2586768-B1 HYDROXY ACID ESTER OF PROPOFOL, PREPARATION METHOD AND MEDICAL USE WEST CHINA HOSPITAL SICHUAN UNIV (CN) 2018-06-27 EP disclosed
US-9272978-B2 Hydroxy acid ester compound of substituted phenol, preparation method and medical use thereof WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2016-03-01 US disclosed
US-9243009-B2 Phosphate ester compound of hydroxy acid substituted phenol ester, preparation method and medical use thereof WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2016-01-26 US disclosed
EP-2586785-B1 PHOSPHORIC ACID ESTER COMPOUND OF HYDROXY ACID SUBSTITUTED PHENYL ESTER, SYNTHESIS METHOD AND MEDICAL USE THEREOF WEST CHINA HOSPITAL SICHUAN UNIV (CN) 2015-12-16 EP disclosed
EP-2586785-A1 PHOSPHORIC ACID ESTER COMPOUND OF HYDROXY ACID SUBSTITUTED PHENYL ESTER, SYNTHESIS METHOD AND MEDICAL USE THEREOF West China Hospital Sichuan University (CN) 2013-05-01 EP disclosed
EP-2586768-A1 HYDROXY ACID COMPOUND OF SUBSTITUTED PHENYL ESTER, PREPARATION METHOD AND MEDICAL USE THEREOF West China Hospital Sichuan University (CN) 2013-05-01 EP disclosed
US-20130085120-A1 Phosphate Ester Compound of Hydroxy Acid Substituted Phenol Ester, Preparation Method and Medical Use Thereof Yichang Humanwell Pharmaceutical Co., Ltd. (CN) 2013-04-04 US disclosed
US-20130079405-A1 Hydroxy Acid Ester Compound of Substituted Phenol, Preparation Method and Medical Use Thereof WEST CHINA HOSPITAL SICHUAN UNIVERSITY (CN) 2013-03-28 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 (2 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-20130079405-A1 Hydroxy Acid Ester Compound of Substituted Phenol, Preparation Method and Medical Use Thereof CYP3A4, CYP2C19, CYP2A6 SCN5A 2382/4885SCN9A 2366/4885SCN10A 2476/4885
US-20130085120-A1 Phosphate Ester Compound of Hydroxy Acid Substituted Phenol Ester, Preparation Method and Medical Use Thereof HPD, PAH, CYP3A4 SCN5A 1351/4885SCN9A 1248/4885SCN10A 1348/4885

“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.