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Sugi Predict / Compounds / SCHEMBL812154

SCHEMBL812154

SCHEMBL812154

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.43
▸ SHMT1 P34896 1/20 0.40
▸ SHMT2 P34897 1/20 0.40
▸ RXRA P19793 3/20 0.39
▸ RXRB P28702 3/20 0.39
▸ MIF P14174 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PPARD Q03181 1/20 0.37
▸ RXRG P48443 2/20 0.37
▸ PTGDR2 Q9Y5Y4 2/20 0.37
▸ TBXA2R P21731 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NOTUM Q6P988 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL812302 0.86 EGLN1 (0.41) SHMT1SHMT2LMNAKDM4EALDH1A1
SCHEMBL812156 0.81 PTGDR2 (0.47) TSHRSHMT1SHMT2RXRARXRB
SCHEMBL812308 0.78 SHMT1 (0.42) TSHRSHMT1SHMT2RXRARXRB
SCHEMBL812155 0.75 SHMT1 (0.39) SHMT1SHMT2RXRARXRBPPARD
SCHEMBL812230 0.73 SHMT1 (0.37) TSHRSHMT1SHMT2RXRARXRB
SCHEMBL13710251 0.72 SHMT1 (0.46) TSHRSHMT1SHMT2GAAPTGDR2
SCHEMBL811973 0.72 KDM4E (0.47) SHMT1SHMT2LMNAGAAKDM4E
SCHEMBL812013 0.70 CYP2C19 (0.38) SHMT1SHMT2PPARDPTGDR2MEN1
SCHEMBL8480665 0.69 SLC13A5 (0.50) TSHRRXRARXRBMIFRXRG
SCHEMBL10909003 0.69 SLC22A12 (0.43) TSHRGAAKDM4EMEN1ALDH1A1

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 9 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-7718706-B2 Arylphenyl-substituted cyclic keto-enols BAYER AKTIENGESELLSCHAFT (DE) 2010-05-18 — — US disclosed
US-7718706-B2 Arylphenyl-substituted cyclic keto-enols BAYER AKTIENGESELLSCHAFT (DE) 2010-05-18 — — US disclosed
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS LIEB FOLKER 2010-04-08 — — US disclosed
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS LIEB FOLKER 2010-04-08 — — US disclosed
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols LIEB FOLKER 2008-04-03 — — US disclosed
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols LIEB FOLKER 2008-04-03 — — US disclosed
US-7288676-B2 Arylphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-10-30 — — US disclosed
US-7288676-B2 Arylphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-10-30 — — 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 (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-20080081807-A1 Arylphenyl-substituted cyclic keto-enols KCNE1, DDT, KCNQ3 TSHR 1322/4885SHMT1 3304/4885SHMT2 2603/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 TSHR 1322/4885SHMT1 3304/4885SHMT2 2603/4885

“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.