SCHEMBL9944117

SCHEMBL9944117

CCC(CC)Oc1cc(C(=O)Nc2ccc(C(=O)O)c(F)c2)cc(Cl)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.44
RARB P10826 1/20 0.44
RARG P13631 1/20 0.44
CPT1A P50416 5/20 0.42
CPT1B Q92523 5/20 0.42
CPT2 P23786 4/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SNCA P37840 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PLAU P00749 1/20 0.40
MITF O75030 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
AVPR2 P30518 1/20 0.40
OXTR P30559 1/20 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
SCHEMBL9944116 0.90 RAB9A (0.44) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9944105 0.89 RARA (0.47) RARARARBRARGCPT1ACPT1B
SCHEMBL1458451 0.89 TAS1R3 (0.47) RARARARBRARGCPT1ACPT1B
SCHEMBL9944122 0.89 CPT1A (0.46) RARARARBRARGCPT1ACPT1B
SCHEMBL1458169 0.86 KCNQ3 (0.47) RARARARBRARGCPT1ACPT1B
SCHEMBL9944113 0.86 MAPT (0.47) RARARARBRARGCPT1ACPT1B
SCHEMBL9944112 0.85 MEN1 (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9944239 0.82 TAS1R3 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9944093 0.81 RARA (0.52) RARARARBRARGCPT1ACPT1B
SCHEMBL9944095 0.81 RARA (0.52) RARARARBRARGCPT1ACPT1B

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.