SCHEMBL12029971

SCHEMBL12029971

Cc1ccc(C)c(C2=C(O)C3(CCCC3)OC2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ATM Q13315 2/20 0.41
HTT P42858 1/20 0.41
THRB P10828 2/20 0.40
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
RAD52 P43351 1/20 0.34
TP53 P04637 1/20 0.34
AVPR1A P37288 1/20 0.33

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
SCHEMBL12029979 0.86 MALT1 (0.37) THRBPOLBMAPTKMT2AMEN1
SCHEMBL14609831 0.86 THRB (0.46) KDM4EATMHTTTHRBPTGS1
SCHEMBL16498966 0.84 MAPT (0.40) KDM4EATMPOLBMAPTKMT2A
SCHEMBL768905 0.84 POLB (0.39) KDM4EPTGS1PTGS2POLBMAPT
SCHEMBL12461449 0.83 ACACB (0.49) KDM4EATMHTTPTGS1PTGS2
SCHEMBL14432214 0.83 MAPT (0.36) THRBPOLBMAPTTP53
SCHEMBL16498547 0.83 MAPT (0.41) THRBPOLBMAPTALDH1A1TP53
SCHEMBL12029780 0.82 ACACB (0.39) THRBTP53ACACBACACA
SCHEMBL9883939 0.82 POLB (0.41) KDM4EATMHTTTHRBPOLB
SCHEMBL2356692 0.81 ACACB (0.49) THRBACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000189-B2 Biphenyl-substituted spirocyclic ketoenols BAYER CROPSCIENCE AG (DE) 2015-04-07 US disclosed
US-20110306499-A1 Biphenyl-Substituted Spirocyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-12-15 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-20110306499-A1 Biphenyl-Substituted Spirocyclic Ketoenols KCNE1, PDHX, PIKFYVE KDM4E 70/4885ATM 2974/4885HTT 2302/4885

“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.