SCHEMBL9944138

SCHEMBL9944138

COc1c(C)cc(C(=O)Nc2ccc(C(=O)O)c(C)c2)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.57
TAS1R1 Q7RTX1 3/20 0.57
TAS1R2 Q8TE23 3/20 0.57
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
ALDH1A1 P00352 4/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 2/20 0.56
HPGD P15428 1/20 0.56
CYP2C9 P11712 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPT P10636 4/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 3/20 0.46
NR1H4 Q96RI1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL1457759 0.95 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL9944174 0.91 TAS1R3 (0.59) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL9944149 0.91 KMT2A (0.55) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL9944146 0.90 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL9944136 0.89 TAS1R3 (0.65) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL9944084 0.88 RAB9A (0.51) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL9944082 0.87 NR1H4 (0.47) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL9944139 0.87 RAB9A (0.61) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL1459204 0.87 MAPT (0.57) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL1457780 0.87 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2MEN1KMT2A

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 TAS1R3 1123/4885TAS1R1 693/4885TAS1R2 808/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG TAS1R3 1123/4885TAS1R1 693/4885TAS1R2 808/4885

“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.