SCHEMBL2978116

SCHEMBL2978116

C/C=C(\CC)c1ccc(C(=O)OC)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.43
▸ KDM4E B2RXH2 9/20 0.43
▸ MAPT P10636 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ GLA P06280 2/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ ABL1 P00519 1/20 0.42
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ GALK1 P51570 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDK4 Q16654 1/20 0.41

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
SCHEMBL2973019 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL13203853 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL13709384 0.85 KDM4E (0.45) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL4502194 0.85 KDM4E (0.45) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL4502453 0.85 KDM4E (0.45) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL12698203 0.82 KDM4E (0.43) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL69263 0.81 KDM4E (0.62) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL2890548 0.79 KDM4E (0.51) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL6243384 0.78 KDM4E (0.50) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL1483403 0.78 TSHR (0.55) ALDH1A1KDM4EMAPTHPGDGAA

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-7772425-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2010-08-10 — — US disclosed
US-20090227604-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-10 — — US disclosed
US-7566803-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-07-28 — — US disclosed
US-20090018058-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (US) 2009-01-15 — — US disclosed
US-20060094778-A1 Vesicant treatment with phenyl-phenyl type vitamin d receptor modulators ELI LILLY AND COMPANY, AN INDIANA CORPORATION 2006-05-04 — — US disclosed
EP-1587906-A2 VESICANT TREATMENT WITH PHENYL-PHENYL TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-26 — — EP disclosed
EP-1565422-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-08-24 — — EP disclosed
WO-2004063345-A2 VESICANT TREATMENT WITH PHENYL-PHENYL TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 — — WO disclosed
WO-2004048309-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-10 — — WO 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 (3 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-20090227604-A1 VITAMIN D RECEPTOR MODULATORS VDR, CYP24A1, CYP2R1 ALDH1A1 2908/4885KDM4E 1985/4885MAPT 4012/4885
US-20090018058-A1 Vitamin D Receptor Modulators VDR, CYP2R1, CYP24A1 ALDH1A1 2901/4885KDM4E 1580/4885MAPT 3892/4885
US-20060094778-A1 Vesicant treatment with phenyl-phenyl type vitamin d receptor modulators VDR, CYP2R1, CYP24A1 ALDH1A1 562/4885KDM4E 502/4885MAPT 3319/4885

“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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