SCHEMBL4564099

SCHEMBL4564099

CC(=O)C(Oc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.52
MTNR1A P48039 4/20 0.47
MTNR1B P49286 4/20 0.47
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
PPARG P37231 6/20 0.42
PPARA Q07869 6/20 0.42
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL2560281 0.87 LDHA (0.65) LDHAMTNR1AMTNR1BGAACYP1A2
SCHEMBL1475915 0.84 LDHA (0.53) LDHAMTNR1AMTNR1BCYP1A2PPARG
SCHEMBL9331782 0.84 LDHA (0.48) LDHAMTNR1AMTNR1BGAACYP1A2
SCHEMBL10966266 0.84 MTNR1A (0.45) LDHAMTNR1AMTNR1BGAACYP1A2
SCHEMBL5411510 0.84 MTNR1A (0.45) LDHAMTNR1AMTNR1BGAACYP1A2
SCHEMBL8395078 0.83 LMNA (0.51) MTNR1AMTNR1BKMT2AMEN1LMNA
SCHEMBL9774578 0.82 LDHA (0.52) LDHACYP1A2CYP2C19PPARGPPARA
SCHEMBL10880781 0.80 KMT2A (0.55) LDHAMTNR1AMTNR1BGAACYP1A2
SCHEMBL855858 0.80 ALDH1A1 (0.54) MTNR1AMTNR1BPPARGPPARAKMT2A
SCHEMBL6380944 0.79 LDHA (0.62) LDHAGAACYP1A2CYP2C9PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367680-B2 Antibacterial small molecules and methods for their synthesis WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-02-05 US disclosed
US-20090270423-A1 ANTIBACTERIAL SMALL MOLECULES AND METHODS FOR THEIR SYNTHESIS NATIONAL SCIENCE FOUNDATION 2009-10-29 US disclosed
EP-0344982-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1994-11-23 EP disclosed
EP-0384676-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1993-11-10 EP disclosed
EP-0384676-A1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-08-29 EP disclosed
WO-1989012051-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed
WO-1989012050-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed
EP-0344980-A2 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP disclosed
EP-0344982-A2 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP disclosed
US-4508541-A DETERGENTS TEXACO INC. (US) 1985-04-02 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 (1 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-20090270423-A1 ANTIBACTERIAL SMALL MOLECULES AND METHODS FOR THEIR SYNTHESIS CLSPN, FDPS, DHPS LDHA 2853/4885MTNR1A 4513/4885MTNR1B 4243/4885

“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.