SCHEMBL9944063

SCHEMBL9944063

CC(C)Oc1ccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc1C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.55
KMT2A Q03164 1/20 0.55
SIRT6 Q8N6T7 1/20 0.48
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 3/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNK3 O14649 2/20 0.42
KCNK9 Q9NPC2 2/20 0.42
GAA P10253 2/20 0.42
HTT P42858 2/20 0.42

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
SCHEMBL9944064 0.85 PKM (0.54) PKMKMT2ANPC1RAB9AALDH1A1
SCHEMBL1458629 0.81 PKM (0.58) PKMKMT2ASIRT6NPC1RAB9A
SCHEMBL9944104 0.78 PKM (0.54) PKMKMT2ASIRT6NPC1RAB9A
SCHEMBL27296254 0.78 KMT2A (0.87) PKMKMT2ASIRT6ALDH1A1MAPT
SCHEMBL30772317 0.78 KMT2A (0.87) PKMKMT2ASIRT6ALDH1A1MAPT
SCHEMBL1458174 0.77 KMT2A (0.53) PKMKMT2ASIRT6NPC1RAB9A
SCHEMBL8555020 0.77 RXRA (0.53) KMT2ARAB9AALDH1A1TP53HDAC1
SCHEMBL1457823 0.76 KMT2A (0.55) PKMKMT2ASIRT6NPC1RAB9A
SCHEMBL7609498 0.74 KMT2A (0.75) PKMKMT2ASIRT6NPC1RAB9A
SCHEMBL9944091 0.74 NR1H4 (0.49) PKMKMT2ANPC1RAB9AALDH1A1

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 7 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-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-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
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 US disclosed
WO-2011027106-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE KING'S COLLEGE LONDON (GB) 2011-03-10 WO 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 PKM 4030/4885KMT2A 1418/4885SIRT6 657/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG PKM 4030/4885KMT2A 1418/4885SIRT6 657/4885

“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.