SCHEMBL9944155

SCHEMBL9944155

Cc1cc(CO[Si](C)(C)C(C)(C)C)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MMP13 P45452 2/20 0.37
DRD4 P21917 3/20 0.36
TMEM97 Q5BJF2 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
USP14 P54578 1/20 0.36
DAO P14920 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
MPO P05164 1/20 0.34
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
FFAR1 O14842 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL30079928 0.83 USP14 (0.35) USP14RXRA
SCHEMBL1121365 0.83 CYP4F2 (0.39) USP14
SCHEMBL14997118 0.83 USP14 (0.34) USP14
SCHEMBL22425843 0.83 NPC1 (0.37) USP14
SCHEMBL1121217 0.83 DRD2 (0.37) USP14
SCHEMBL8226277 0.83 CYP1A2 (0.38) USP14RXRAGRIN1GRIN2B
SCHEMBL5454226 0.81 SKP2 (0.44) USP14
SCHEMBL8993025 0.81 USP14 (0.34) SLC6A2SLC6A4SLC6A3USP14FFAR4
SCHEMBL29825081 0.81 USP14 (0.34) SLC6A2SLC6A4SLC6A3USP14FFAR4
SCHEMBL12191689 0.79 CRHBP (0.41)

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 SLC6A2 1763/4885SLC6A4 2666/4885SLC6A3 1448/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG SLC6A2 1763/4885SLC6A4 2666/4885SLC6A3 1448/4885

“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.