SCHEMBL9944092

SCHEMBL9944092

Cc1c(OC(C)C)cc(C(=O)Nc2ccc(C(=O)O)cc2)cc1OC(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPT P10636 2/20 0.55
MAPK1 P28482 1/20 0.55
PKM P14618 1/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
MITF O75030 1/20 0.50
TOP1 P11387 1/20 0.49
FFAR1 O14842 1/20 0.49
EP300 Q09472 2/20 0.48
NPC1 O15118 4/20 0.48
GAA P10253 1/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MCL1 Q07820 1/20 0.48

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
SCHEMBL9944103 0.91 MAPT (0.50) ALDH1A1MAPTMAPK1PKMKMT2A
SCHEMBL12824974 0.90 PKM (0.53) ALDH1A1MAPTMAPK1PKMKMT2A
SCHEMBL1458073 0.90 PKM (0.53) ALDH1A1MAPTMAPK1PKMKMT2A
SCHEMBL1458140 0.89 POLB (0.52) ALDH1A1MAPTMAPK1PKMKMT2A
SCHEMBL1459229 0.89 PKM (0.52) ALDH1A1MAPTMAPK1PKMKMT2A
SCHEMBL1458273 0.89 MITF (0.55) ALDH1A1MAPTMAPK1PKMKMT2A
SCHEMBL9944124 0.88 MAPT (0.50) ALDH1A1MAPTMAPK1PKMKMT2A
SCHEMBL1458634 0.87 MEN1 (0.60) ALDH1A1MAPTMAPK1PKMKMT2A
SCHEMBL9944123 0.87 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1PKMKMT2A
SCHEMBL9944091 0.86 NR1H4 (0.49) ALDH1A1MAPTMAPK1PKMKMT2A

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 ALDH1A1 128/4885MAPT 150/4885MAPK1 1666/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG ALDH1A1 128/4885MAPT 150/4885MAPK1 1666/4885

“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.