SCHEMBL6775841

SCHEMBL6775841

COC(=O)c1ccc(OC)cc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP2C9 P11712 1/20 0.62
PLA2G2A P14555 2/20 0.57
GABRA1 P14867 2/20 0.56
GABRG2 P18507 2/20 0.56
GABRB3 P28472 2/20 0.56
GABRA3 P34903 2/20 0.56
GABRA5 P31644 1/20 0.56
GABRA2 P47869 1/20 0.56
HDAC8 Q9BY41 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
SLC6A3 Q01959 5/20 0.51
SLC6A4 P31645 3/20 0.51
GAA P10253 2/20 0.51
SLC6A2 P23975 2/20 0.51
BACE1 P56817 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL29706084 0.89 KDM4E (0.56) KDM4ECYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL20208770 0.89 KDM4E (0.56) KDM4ECYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL20657882 0.87 CYP1A2 (0.56) KDM4ECYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL29596411 0.87 CYP1A2 (0.56) KDM4ECYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL5311021 0.87 KDM4E (0.82) KDM4ECYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL6701301 0.87 SMN1; SMN2 (0.63) KDM4ECYP1A2CYP2D6CYP2C19HDAC8
SCHEMBL8782870 0.87 CYP1A2 (0.57) KDM4ECYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL2949877 0.86 KDM4E (0.64) KDM4ECYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL22319299 0.85 ALDH1A1 (0.57) KDM4ECYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL6783755 0.84 KDM4E (0.63) KDM4ECYP1A2CYP2D6CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6204293-B1 INHIBITING POST-TRANSLATIONAL MODIFICATION OF THE ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE, PROTEIN GERANYLGERANYLTRANSFERASE, OR BOTH UNIVERSITY OF PITTSBURGH 2001-03-20 US disclosed
WO-1998050031-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 KDM4E 3061/4885CYP1A2 2534/4885CYP2D6 1778/4885

“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.