SCHEMBL9944084

SCHEMBL9944084

Cc1cc(NC(=O)c2cc(C)c(OC(C)C)c(Cl)c2)ccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.47
ALOX12 P18054 1/20 0.47
PLAU P00749 2/20 0.47
TP53 P04637 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
NR1H4 Q96RI1 2/20 0.45
RORC P51449 1/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL9944076 0.95 RAB9A (0.50) RAB9ANPC1MAPTALDH1A1ALOX12
SCHEMBL9944173 0.92 RORC (0.48) RAB9ANPC1MAPTPLAUTP53
SCHEMBL1457587 0.91 RAB9A (0.47) RAB9ANPC1MAPTALDH1A1ALOX12
SCHEMBL9944097 0.90 PLAU (0.47) RAB9ANPC1MAPTALDH1A1ALOX12
SCHEMBL1458621 0.90 PLAU (0.47) RAB9ANPC1MAPTALDH1A1ALOX12
SCHEMBL9944078 0.89 TAS1R3 (0.52) RAB9ANPC1MAPTPLAUTAS1R3
SCHEMBL9944138 0.88 TAS1R3 (0.57) RAB9ANPC1MAPTALDH1A1ALOX12
SCHEMBL1458186 0.87 MAPT (0.47) RAB9ANPC1MAPTALDH1A1ALOX12
SCHEMBL9944164 0.87 PLAU (0.49) RAB9ANPC1MAPTPLAUTP53
SCHEMBL1457780 0.87 TAS1R3 (0.51) RAB9ANPC1MAPTALDH1A1ALOX12

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 RAB9A 271/4885NPC1 277/4885MAPT 150/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG RAB9A 271/4885NPC1 277/4885MAPT 150/4885

“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.