SCHEMBL9944093

SCHEMBL9944093

Cc1c(OC(C)C)cc(C(=O)Nc2ccc(C(=O)O)c(F)c2)cc1OC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.52
RARB P10826 2/20 0.52
RARG P13631 1/20 0.52
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
CPT2 P23786 6/20 0.44
CPT1A P50416 6/20 0.44
CPT1B Q92523 6/20 0.44
PTGFR P43088 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL9944105 0.92 RARA (0.47) RARARARBRARGKCNQ3KCNQ2
SCHEMBL1458287 0.90 RARA (0.50) RARARARBRARGKCNQ3KCNQ2
SCHEMBL9944091 0.87 NR1H4 (0.49) NPC1RAB9AKCNK3KCNK9ALDH1A1
SCHEMBL1458495 0.86 PLAU (0.47) RARARARBRARGKCNQ3KCNQ2
SCHEMBL1457817 0.86 TP53 (0.51) RARARARBRARGKCNQ3KCNQ2
SCHEMBL1458271 0.84 TAS1R3 (0.50) RARARARBRARGKCNQ3KCNQ2
SCHEMBL1458215 0.82 RAB9A (0.54) RARARARBRARGKCNQ3KCNQ2
SCHEMBL9944097 0.82 PLAU (0.47) RARARARBRARGKCNQ3KCNQ2
SCHEMBL9944242 0.81 KCNQ3 (0.45) RARARARBRARGKCNQ3KCNQ2
SCHEMBL9944092 0.81 ALDH1A1 (0.55) NPC1RAB9AALDH1A1MAPTMAPK1

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 RARA 1/4885RARB 2/4885RARG 3/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG RARA 1/4885RARB 2/4885RARG 3/4885

“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.