SCHEMBL2391183

SCHEMBL2391183

CCC(=Cc1cccc(O)c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
EPHX2 P34913 1/20 0.47
OPRM1 P35372 1/20 0.47
ESR1 P03372 2/20 0.46
TBXAS1 P24557 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LCK P06239 1/20 0.42
GFER P55789 1/20 0.41
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41

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
SCHEMBL20184163 1.00 KDM4E (0.58) KDM4EEPHX2OPRM1ESR1TBXAS1
SCHEMBL6338925 1.00 KDM4E (0.58) KDM4EEPHX2OPRM1ESR1TBXAS1
SCHEMBL21548772 0.87 KDM4E (0.46) KDM4EOPRM1CCNB2CDK1CDK4
SCHEMBL14032639 0.83 EPHX2 (0.47) KDM4EEPHX2TBXAS1CYP3A4CYP2C9
SCHEMBL1579814 0.83 TBXAS1 (0.48) KDM4EEPHX2TBXAS1CYP3A4CYP2C9
SCHEMBL1579813 0.83 TBXAS1 (0.48) KDM4EEPHX2TBXAS1CYP3A4CYP2C9
SCHEMBL3544382 0.83 ALDH1A1 (0.61) KDM4EEPHX2MEN1KMT2ASMN1; SMN2
SCHEMBL3549405 0.83 ALDH1A1 (0.61) KDM4EEPHX2MEN1KMT2ASMN1; SMN2
SCHEMBL3544381 0.83 ALDH1A1 (0.61) KDM4EEPHX2MEN1KMT2ASMN1; SMN2
SCHEMBL57683 0.82 CYP3A4 (0.63) EPHX2TBXAS1CYP3A4CYP2C9MEN1

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-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US claimed
US-4748161-A Triterpenyl esters of organic acids and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1988-05-31 US claimed
EP-0166542-A2 Triterpenyl esters of organic acids, process for their production, and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1986-01-02 EP claimed
US-RE42700-E1 Induction of apoptosis in cancer cells SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-13 US disclosed
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US disclosed
US-6555663-B1 Pharmaceuticals which are activated intracellularly by reaction with cellular electron carriers or free radicals to cause release of a free and active drug molecule MILLS RANDELL LEE (US) 2003-04-29 US disclosed
CN-1089086-C Luminandide medicine MILLS RANDELL L (US) 2002-08-14 CN disclosed
EP-0414730-B1 Chemical Compounds and pharmaceutical compositions capable of releasing a drug MILLS RANDELL L (US) 1999-12-15 EP disclosed
US-5773592-A COMPRISES A CHEMILUMINESCENT MOIETY, A PHOTOCHROMIC MOIETY AND A BIOLOGICALLY ACTIVE AGENT CAPABLE OF BEING RELEASED MILLS RANDELL LEE (US) 1998-06-30 US disclosed
US-5428163-A Luminides; chemiluminescence; redox system, releasing free drug MILLS RANDELL L (US) 1995-06-27 US disclosed
EP-0414730-A4 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS 1993-06-16 EP disclosed
EP-0414730-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS Mills, Randell L. (US) 1991-03-06 EP disclosed
CN-1047075-A Luminandide medicine MILLS RANDELL L (US) 1990-11-21 CN disclosed
WO-1989009833-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS MILLS RANDELL L (US) 1989-10-19 WO disclosed
US-4748161-A Triterpenyl esters of organic acids and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1988-05-31 US disclosed
CN-85109752-A Preparation triterpenoid organic acid ester and the method that contains the hypolipidemic agents of this compounds 1986-12-17 CN disclosed
EP-0166542-A2 Triterpenyl esters of organic acids, process for their production, and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1986-01-02 EP 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-20050080260-A1 Preparation of prodrugs for selective drug delivery APEH, PAH, ALAD KDM4E 3072/4885EPHX2 273/4885OPRM1 2430/4885

“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.