SCHEMBL9944091

SCHEMBL9944091

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 3/20 0.48
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 1/20 0.47
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
MEN1 O00255 1/20 0.46
FKBP5 Q13451 1/20 0.46
PKM P14618 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MCHR1 Q99705 1/20 0.43

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
SCHEMBL9944102 0.92 NPC1 (0.48) NR1H4MAPTALDH1A1MAPK1NPC1
SCHEMBL1459226 0.91 NR1H4 (0.46) NR1H4MAPTALDH1A1MAPK1NPC1
SCHEMBL1457804 0.91 NPC1 (0.47) NR1H4MAPTALDH1A1MAPK1NPC1
SCHEMBL1457758 0.90 MEN1 (0.51) MAPTALDH1A1MAPK1NPC1RAB9A
SCHEMBL1458469 0.88 NPC1 (0.47) NR1H4MAPTALDH1A1MAPK1NPC1
SCHEMBL9944093 0.87 RARA (0.52) NR1H4MAPTALDH1A1MAPK1NPC1
SCHEMBL1458439 0.87 TP53 (0.52) NR1H4MAPTALDH1A1MAPK1NPC1
SCHEMBL1457587 0.87 RAB9A (0.47) NR1H4MAPTALDH1A1MAPK1NPC1
SCHEMBL9944092 0.86 ALDH1A1 (0.55) MAPTALDH1A1MAPK1NPC1RAB9A
SCHEMBL1457780 0.85 TAS1R3 (0.51) MAPTALDH1A1MAPK1NPC1RAB9A

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 NR1H4 33/4885MAPT 150/4885ALDH1A1 128/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG NR1H4 33/4885MAPT 150/4885ALDH1A1 128/4885

“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.