SCHEMBL9944355

SCHEMBL9944355

CCCCOc1c(Cl)cc(C(=O)O)cc1OC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
HTT P42858 2/20 0.46
POLB P06746 1/20 0.46
ALOX15 P16050 1/20 0.46
PLAU P00749 1/20 0.45
MEN1 O00255 1/20 0.42
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
KMO O15229 3/20 0.40
LMNA P02545 1/20 0.40
EGLN1 Q9GZT9 2/20 0.39
PLA2G2A P14555 1/20 0.39

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
SCHEMBL9944359 0.89 ESR1 (0.41) KMT2AHTTMEN1PDE4APDE4B
SCHEMBL1458182 0.82 KMT2A (0.58) KMT2AHTTPOLBALOX15PLAU
SCHEMBL1458045 0.81 KDM4E (0.53) KMT2AMEN1PDE4APDE4BPDE4C
SCHEMBL9944356 0.80 PDE4A (0.48) KMT2AHTTMEN1PDE4APDE4B
SCHEMBL1458223 0.80 KMT2A (0.55) KMT2AHTTPOLBALOX15PLAU
SCHEMBL1708361 0.79 PLAU (0.68) KMT2AHTTPOLBALOX15PLAU
SCHEMBL1458417 0.79 KMT2A (0.57) KMT2AHTTPOLBALOX15PDE4A
SCHEMBL9944143 0.77 KMT2A (0.52) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL1457709 0.77 KMT2A (0.56) KMT2APLAUPDE4APDE4BPDE4C
SCHEMBL1457706 0.76 KMT2A (0.73) KMT2AMEN1PDE4APDE4BPDE4C

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 4 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
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 KMT2A 1418/4885HTT 385/4885POLB 3821/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG KMT2A 1418/4885HTT 385/4885POLB 3821/4885

“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.