SCHEMBL9944112

SCHEMBL9944112

CCC(CC)Oc1cc(C(=O)Nc2ccc(C(=O)O)cc2)cc(Cl)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
MCL1 Q07820 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.46
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MITF O75030 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
TAS1R3 Q7RTX0 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
SCHEMBL9944116 0.89 RAB9A (0.44) MEN1KMT2ALMNAPOLBGAA
SCHEMBL9944103 0.88 MAPT (0.50) MEN1KMT2ALMNAPOLBGAA
SCHEMBL1458138 0.88 TAS1R3 (0.55) MEN1KMT2ALMNAPOLBGAA
SCHEMBL9944120 0.87 MEN1 (0.46) MEN1KMT2ALMNAPOLBGAA
SCHEMBL9944117 0.85 RARA (0.44) MEN1KMT2ALMNAPOLBGAA
SCHEMBL1458159 0.84 MEN1 (0.56) MEN1KMT2ALMNAPOLBGAA
SCHEMBL9944134 0.82 MEN1 (0.58) MEN1KMT2ANPC1RAB9APKM
SCHEMBL9944114 0.81 MEN1 (0.48) MEN1KMT2ALMNAPOLBGAA
SCHEMBL1458204 0.79 TAS1R3 (0.47) MEN1KMT2ALMNAGAANPC1
SCHEMBL9944108 0.79 NR1H4 (0.50) MEN1KMT2ALMNAPOLBGAA

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 MEN1 4809/4885KMT2A 1418/4885LMNA 1825/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG MEN1 4809/4885KMT2A 1418/4885LMNA 1825/4885

“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.