SCHEMBL9944159

SCHEMBL9944159

CC1(c2cc(-c3ccc4cc(C(=O)O)ccc4c3)ccc2CO)CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 20/20 0.74
RARG P13631 20/20 0.74
RARA P10276 15/20 0.68
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP26A1 O43174 1/20 0.44
CYP26B1 Q9NR63 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 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
SCHEMBL29397204 0.81 RARB (1.00) RARBRARGRARAMEN1KMT2A
SCHEMBL7928834 0.81 RARB (1.00) RARBRARGRARAMEN1KMT2A
SCHEMBL29358433 0.81 RARB (1.00) RARBRARGRARAMEN1KMT2A
SCHEMBL6535556 0.76 RARG (1.00) RARBRARGRARAMEN1KMT2A
SCHEMBL30012262 0.76 RARG (1.00) RARBRARGRARAMEN1KMT2A
SCHEMBL9007209 0.75 RARB (0.71) RARBRARGRARAMEN1KMT2A
SCHEMBL20178972 0.75 RARB (0.67) RARBRARGRARACYP26A1CYP26B1
SCHEMBL2331952 0.74 RARB (1.00) RARBRARGRARACYP26A1CYP26B1
SCHEMBL13176910 0.71 RARG (0.76) RARBRARGRARAMEN1KMT2A
SCHEMBL13900230 0.71 RARB (0.64) RARBRARGRARAMEN1KMT2A

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 5 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
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 RARB 2/4885RARG 3/4885RARA 1/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG RARB 2/4885RARG 3/4885RARA 1/4885

“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.