SCHEMBL9944359

SCHEMBL9944359

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
PDE4A P27815 6/20 0.41
PDE4B Q07343 6/20 0.41
PDE4C Q08493 6/20 0.41
PDE4D Q08499 6/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A5 Q9Y345 1/20 0.40
CNR2 P34972 3/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GALK1 P51570 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
SCHEMBL9944355 0.89 KMT2A (0.47) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL9944356 0.88 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL1457721 0.84 PDE4D (0.48) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL1458000 0.82 LMNA (0.54) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL1457723 0.79 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL9944140 0.78 PDE4D (0.47) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL9944358 0.78 ESR1 (0.46) ESR1PDE4APDE4BPDE4CPDE4D
SCHEMBL9944357 0.77 ESR1 (0.56) ESR1CNR2KDM4ELMNATDP1
SCHEMBL6558609 0.75 GALK1 (0.51) ESR1GALK1
SCHEMBL8503889 0.74 PDE4D (0.54) PDE4APDE4BPDE4CPDE4D

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 ESR1 110/4885PDE4A 358/4885PDE4B 512/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG ESR1 110/4885PDE4A 358/4885PDE4B 512/4885

“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.