SCHEMBL1779744

SCHEMBL1779744

CC=C(CC)c1ccc2cc(C(=O)OC)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.53
▸ PTPN11 Q06124 3/20 0.51
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ XDH P47989 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ CYP19A1 P11511 1/20 0.46
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ MAPT P10636 7/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ HPGD P15428 4/20 0.45
▸ ALOX15 P16050 3/20 0.45
▸ HSD17B10 Q99714 3/20 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
SCHEMBL12601259 1.00 LCK (0.53) LCKPTPN11CA1CA2CA12
SCHEMBL1779743 1.00 LCK (0.53) LCKPTPN11CA1CA2CA12
SCHEMBL18704258 0.84 CA1 (0.53) CA1CA2CA12CA7XDH
SCHEMBL29365729 0.82 PTPN11 (0.68) LCKPTPN11CA1CA2CA12
SCHEMBL69025 0.82 PTPN11 (0.68) LCKPTPN11CA1CA2CA12
SCHEMBL31148953 0.81 MAPT (0.56) LCKPTPN11CA1CA2CA12
SCHEMBL31148952 0.81 MAPT (0.56) LCKPTPN11CA1CA2CA12
SCHEMBL8732524 0.80 PTPN11 (0.66) LCKPTPN11CA1CA2CA12
SCHEMBL13709384 0.79 KDM4E (0.45) CA1CA2CA12CA7XDH
SCHEMBL22562933 0.79 CA12 (0.57) LCKCA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943795-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-05-17 — — US disclosed
US-20090234001-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-17 — — US disclosed
EP-1836151-B1 VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2009-04-01 — — EP disclosed
EP-1836151-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2007-09-26 — — EP disclosed
WO-2006069153-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-06-29 — — 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 (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-20090234001-A1 VITAMIN D RECEPTOR MODULATORS VDR, CYP2R1, CYP24A1 LCK 4617/4885PTPN11 939/4885CA1 4717/4885

“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.

Send feedback