SCHEMBL628516

SCHEMBL628516

Cc1ccccc1-c1cc(C(=O)O)c(C)c(C)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.50
MYC P01106 1/20 0.49
LDHA P00338 1/20 0.45
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
KMT2A Q03164 2/20 0.42
FTO Q9C0B1 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
AKR1B10 O60218 1/20 0.41
TRPA1 O75762 1/20 0.41
ABCB11 O95342 1/20 0.41
DHFR P00374 1/20 0.41
LMNA P02545 1/20 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
SCHEMBL15136712 0.83 PTPN1 (0.46) MCL1LDHAALDH1A1DHFRPTGS1
SCHEMBL31587241 0.82 MYC (0.51) MCL1MYCLDHAKDM5AKDM4C
SCHEMBL607159 0.79 MYC (0.65) MCL1MYCCYP3A4CYP2C9KMT2A
SCHEMBL11492238 0.79 LDHA (0.49) MCL1MYCLDHAKDM5AKDM4C
SCHEMBL23908690 0.78 MYC (0.50) MCL1MYCLDHAKDM5AKDM4C
Hydrochloric Acid SCHEMBL28266194 0.77 MYC (0.62) MCL1MYCLDHACYP3A4CYP2C9
Ethylene Glycol SCHEMBL31171053 0.77 MYC (0.46) MCL1MYCLDHAKDM5AKDM4C
SCHEMBL6679648 0.76 MYC (0.55) MCL1MYCLDHACYP3A4CYP2C9
SCHEMBL656 0.76 MYC (0.71) MCL1MYCCYP3A4CYP2C9KMT2A
SCHEMBL30755384 0.76 MYC (0.71) MCL1MYCCYP3A4CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 EP disclosed
EP-0986384-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2004-09-15 EP disclosed
US-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 US disclosed
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed
EP-0986384-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 2000-03-22 EP disclosed
WO-1998050029-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO 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-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 MCL1 4480/4885MYC 2732/4885LDHA 652/4885

“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.