SCHEMBL9944358

SCHEMBL9944358

CCCCOc1c(Cl)cc(C(=O)OC)cc1OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
GALK1 P51570 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
PLAU P00749 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
SLC6A5 Q9Y345 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
SCHEMBL1458210 0.83 ALDH1A1 (0.54) PPARGPPARAGALK1SMN1; SMN2MAPT
SCHEMBL9944357 0.81 ESR1 (0.56) ESR1PPARGPPARAGALK1LMNA
SCHEMBL6558609 0.80 GALK1 (0.51) ESR1GALK1
SCHEMBL1458188 0.80 LMNA (0.60) PPARGPPARALMNAHTTSMN1; SMN2
SCHEMBL7997525 0.78 SLC6A5 (0.50) MAPTSLC6A5
SCHEMBL15662529 0.78 PLAU (0.49) ESR1PPARGPPARAGALK1LMNA
SCHEMBL9944359 0.78 ESR1 (0.41) ESR1GALK1LMNAHTTPDE4A
SCHEMBL3949729 0.78 PPARA (0.46) PPARGPPARALMNAHTTPLAU
SCHEMBL14999454 0.77 SLC6A5 (0.59) SLC6A5
SCHEMBL9944152 0.77 RORC (0.43) PPARGPPARALMNAHTTSMN1; SMN2

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 ESR1 110/4885PPARG 9/4885PPARA 12/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG ESR1 110/4885PPARG 9/4885PPARA 12/4885

“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.