SCHEMBL9944156

SCHEMBL9944156

Cc1cc(CO[Si](C)(C)C(C)(C)C)cc(O)c1F

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.31
BACE1 P56817 1/20 0.30
TACR1 P25103 1/20 0.30

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
SCHEMBL1121322 0.82 DRD2 (0.33)
SCHEMBL5273358 0.82 ESR1 (0.37) BACE1
SCHEMBL15152700 0.78 CYP4F2 (0.40) TOP2ABACE1
SCHEMBL31371309 0.78 CYP4F2 (0.40) TOP2ABACE1
SCHEMBL1121365 0.77 CYP4F2 (0.39) BACE1
SCHEMBL22198892 0.77 BACE1 (0.35) BACE1TACR1
SCHEMBL31254802 0.77
SCHEMBL31371204 0.76 IDO1 (0.40) BACE1
SCHEMBL25239402 0.76 POLB (0.39)
SCHEMBL27106191 0.75 IDO1 (0.50)

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 TOP2A 3528/4885BACE1 29/4885TACR1 469/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG TOP2A 3528/4885BACE1 29/4885TACR1 469/4885

“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.