SCHEMBL9944152

SCHEMBL9944152

COC(=O)c1cc(Cl)c(C)c(OC(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.41
XDH P47989 1/20 0.41
GFER P55789 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
FUT7 Q11130 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 5/20 0.40

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
SCHEMBL1457790 0.86 GAA (0.47) RORCCA12CA1CA2CA7
SCHEMBL1458348 0.85 CA12 (0.46) RORCCA12CA1CA2CA7
SCHEMBL13696427 0.85 CNR2 (0.49) CA12CA1CA2CA7CA9
SCHEMBL1458210 0.84 ALDH1A1 (0.54) RORCKDM4EGAAALDH1A1MAPT
SCHEMBL3555140 0.82 CA1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL3949729 0.81 PPARA (0.46) RORCCA12CA1CA2CA7
SCHEMBL1015712 0.81 RORC (0.57) RORCCA12CA1CA2CA7
SCHEMBL5232828 0.78 CYP3A4 (0.47) CA12CA1CA2CA7CA9
SCHEMBL1457837 0.78 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL23213447 0.77 S1PR4 (0.42) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG RORC 10/4885CA12 4325/4885CA1 1797/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG RORC 10/4885CA12 4325/4885CA1 1797/4885

“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.