SCHEMBL7102811

SCHEMBL7102811

CCC(CC)(C(=O)O)C(=O)Oc1cc(C)c(-c2cccc(Cl)c2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.39
ESR2 Q92731 1/20 0.37
PDE4D Q08499 1/20 0.37
LTB4R Q15722 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
CNR2 P34972 2/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
CHRM1 P11229 1/20 0.35
DCLRE1B Q9H816 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MAPT P10636 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
MDM2 Q00987 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34

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
SCHEMBL613564 0.86 ESR2 (0.45) SLC6A9ESR2CNR2DCLRE1BFFAR1
SCHEMBL812909 0.86 ESR2 (0.48) SLC6A9ESR2CNR2PTGDR2PPARG
SCHEMBL6049534 0.72 TDP1 (0.49) CHRM1FFAR1MAPTMRGPRX4
SCHEMBL7248442 0.65 ESR2 (0.51) SLC6A9ESR2PPARGPPARDDCLRE1B
SCHEMBL7854576 0.65 L3MBTL1 (0.40) MAPT
SCHEMBL3092323 0.65 RIPK1 (0.50) MAPT
SCHEMBL3750334 0.65 MEN1 (0.40) MAPT
SCHEMBL27571367 0.64 ADORA3 (0.44) ESR2PDE4DCHRM1DCLRE1BMDM2
SCHEMBL12991545 0.64 TRPV1 (0.53) MAPTTRPM8
SCHEMBL27456663 0.64 DCLRE1B (0.48) ESR2DCLRE1BMDM2

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-20030096806-A1 Arylphenyl-substituted cyclic ketoenols LIEB FOLKER (DE) 2003-05-22 US disclosed
US-6451843-B1 Arylphenyl-substituted cyclic keto enols BAYER AKTIENGESELLSCHAFT (DE) 2002-09-17 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-20030096806-A1 Arylphenyl-substituted cyclic ketoenols KCNE1, KCNQ3, SULT1E1 SLC6A9 2636/4885ESR2 1499/4885PDE4D 1886/4885

“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.