SCHEMBL6887994

SCHEMBL6887994

CCOC(=O)C(OC(=O)Cl)OC(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.40
MMP8 P22894 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ABCB11 O95342 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
HTR2A P28223 1/20 0.32
PMP22 Q01453 1/20 0.32
PPARA Q07869 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALOX15 P16050 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL6882617 0.83 ALDH1A1 (0.39) PRKCAALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL24960593 0.83 PRKCA (0.43) PRKCAMMP8PKMALDH1A1ABCB11
SCHEMBL6887053 0.78 PRKCA (0.37) PRKCAMMP8
SCHEMBL6887024 0.78 MGAM (0.37) ALDH1A1CYP1A2CYP3A4TSHRLMNA
SCHEMBL6880854 0.78 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL1639936 0.77 PRKCA (0.44) PRKCAMMP8PKMALDH1A1ABCB11
SCHEMBL1396438 0.77 PRKCA (0.44) PRKCAMMP8PKMALDH1A1ABCB11
SCHEMBL11127112 0.76 PRKCA (0.43) PRKCAMMP8PKMALDH1A1ABCB11
SCHEMBL11761883 0.72 ALDH1A1 (0.40) ALDH1A1CYP3A4TSHRLMNAHSD17B10
SCHEMBL21346216 0.72 PRKCA (0.43) PRKCAMMP8PKMALDH1A1ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040254182-A1 Enhanced propertied pharmaceuticals ROHM AND HAAS COMPANY 2004-12-16 US disclosed
WO-2002072559-A1 PROCESS TO INTERMEDIATES FOR BIOLOGICALLY ACTIVE COMPOUNDS ROHM AND HAAS COMPANY (US) 2002-09-19 WO disclosed
US-20010039343-A1 Process to intermediates for biologically active compounds MULVIHILL MARK JOSEPH (US) 2001-11-08 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed
WO-2001055082-A2 INTERMEDIATES FOR BIOLOGICALLY ACTIVE COMPOUNDS ROHM AND HAAS COMPANY (US) 2001-08-02 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 (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-20040254182-A1 Enhanced propertied pharmaceuticals ABCB1, ABCB11, ABCG2 PRKCA 4855/4885MMP8 288/4885PKM 1150/4885
US-20010039343-A1 Process to intermediates for biologically active compounds DDT, CYP4X1, CYP1B1 PRKCA 1954/4885MMP8 1117/4885PKM 603/4885

“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.