SCHEMBL12545943

SCHEMBL12545943

CCOC(=O)COc1cccc(C(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.56
▸ PPARG P37231 2/20 0.56
▸ KDM4E B2RXH2 3/20 0.50
▸ GAA P10253 3/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ HPGD P15428 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ NLRP3 Q96P20 1/20 0.47
▸ FFAR1 O14842 1/20 0.46
▸ F9 P00740 1/20 0.46
▸ F10 P00742 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PTGES O14684 1/20 0.45
▸ ALOX5 P09917 1/20 0.45

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
SCHEMBL27583460 0.89 PPARA (0.57) PPARAPPARGKDM4EGAAALDH1A1
SCHEMBL9863137 0.86 PPARA (0.67) PPARAPPARGKDM4EGAAALDH1A1
SCHEMBL14624307 0.85 KMT2A (0.60) KDM4EGAAALDH1A1LMNASMN1; SMN2
SCHEMBL11828515 0.83 PPARA (0.63) PPARAPPARGKDM4EGAAALDH1A1
Hydrochloric Acid SCHEMBL7943658 0.82 PPARA (0.51) PPARAPPARGKDM4EGAAALDH1A1
SCHEMBL15063418 0.82 PPARA (0.56) PPARAPPARGKDM4EGAAALDH1A1
SCHEMBL2624372 0.81 GAA (0.62) KDM4EGAAALDH1A1LMNATSHR
SCHEMBL6494581 0.81 GAA (0.66) PPARAPPARGKDM4EGAAALDH1A1
SCHEMBL5517321 0.81 LMNA (0.63) PPARAPPARGKDM4EALDH1A1LMNA
SCHEMBL9121600 0.81 KDM4E (0.55) PPARAPPARGKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807968-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-10-20 — — US disclosed
US-20200048221-A1 SUBSTITUTED 2-(HET)ARYLIMIDAZOLYLCARBOXYAMIDES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 — — US disclosed
US-10544124-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-28 — — US disclosed
US-20190047982-A1 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-14 — — US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 — — US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 — — US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 — — 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 (5 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-20190047982-A1 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides DDT, CYP4X1, CYP4Z1 PPARA 2653/4885PPARG 1529/4885KDM4E 231/4885
US-20200048221-A1 SUBSTITUTED 2-(HET)ARYLIMIDAZOLYLCARBOXYAMIDES AS PESTICIDES DDT, CYP4X1, CYP4Z1 PPARA 2653/4885PPARG 1529/4885KDM4E 231/4885
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 PPARA 3149/4885PPARG 4139/4885KDM4E 773/4885
US-10807968-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides DDT, CYP4X1, CYP4Z1 PPARA 2653/4885PPARG 1529/4885KDM4E 231/4885
US-10544124-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides DDT, CYP4X1, CYP4Z1 PPARA 2653/4885PPARG 1529/4885KDM4E 231/4885

“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.

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