SCHEMBL823049

SCHEMBL823049

Cc1cc(-c2ccc(Cl)cc2)cc(C)c1CC(=O)OC(C)(C)C(=O)C1CO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 3/20 0.38
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
EGFR P00533 1/20 0.34
MAPT P10636 1/20 0.33
SHMT1 P34896 1/20 0.33
SHMT2 P34897 1/20 0.33
AVPR1A P37288 1/20 0.32
PPARA Q07869 3/20 0.32
SLC16A3 O15427 2/20 0.32
SLC16A1 P53985 2/20 0.32
MCTS1 Q9ULC4 2/20 0.32
TSHR P16473 2/20 0.32
ABCB11 O95342 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTR2A P28223 1/20 0.32
PMP22 Q01453 1/20 0.32
PPARD Q03181 1/20 0.31
PTGER4 P35408 1/20 0.31

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
SCHEMBL812012 0.79 TSHR (0.51) NPC1RAB9AMAPTPPARATSHR
SCHEMBL811973 0.74 KDM4E (0.47) MAPTSHMT1SHMT2KDM4EALDH1A1
SCHEMBL812156 0.69 PTGDR2 (0.47) MAPTSHMT1SHMT2TSHRABCB11
SCHEMBL812155 0.69 SHMT1 (0.39) NPC1RAB9ASHMT1SHMT2ABCB11
SCHEMBL812302 0.68 EGLN1 (0.41) MAPTSHMT1SHMT2PPARAKDM4E
SCHEMBL812147 0.66 SHMT1 (0.41) MAPTSHMT1SHMT2PPARACYP1A2
SCHEMBL812154 0.65 TSHR (0.43) SHMT1SHMT2TSHRABCB11PPARD
SCHEMBL812308 0.65 SHMT1 (0.42) SHMT1SHMT2PPARATSHRCYP1A2
SCHEMBL812230 0.64 SHMT1 (0.37) SHMT1SHMT2PPARATSHRABCB11
SCHEMBL812153 0.64 ANO1 (0.43) MAPTSHMT1SHMT2HPGDKDM4E

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-8058210-B2 Arylphenyl-substituted cyclic keto-enols BAYER CROPSCIENCE AG (DE) 2011-11-15 US disclosed
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols LIEB FOLKER 2008-04-03 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-20080081807-A1 Arylphenyl-substituted cyclic keto-enols KCNE1, DDT, KCNQ3 OXTR 2464/4885NPC1 4115/4885RAB9A 4397/4885

“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.