SCHEMBL29586901

SCHEMBL29586901

CCOC(=O)[C@@H]1CCc2ccc(OCc3ccccc3Cl)cc2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
PPARG P37231 4/20 0.46
PPARA Q07869 4/20 0.46
PPARD Q03181 3/20 0.46
MEN1 O00255 1/20 0.44
SLC26A4 O43511 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
NR4A2 P43354 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
S1PR5 Q9H228 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SRD5A1 P18405 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 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
SCHEMBL1933853 0.86 CYP4F2 (0.55) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL7313819 0.86 CYP4F2 (0.55) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL29587114 0.84 CYP4F2 (0.56) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL29588124 0.84 ADAM17 (0.46) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL29586970 0.82 CYP4F2 (0.58) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL24496702 0.80 CYP4F2 (0.56) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL29588143 0.80 CYP4F2 (0.56) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL29586780 0.80 PPARG (0.54) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL7313848 0.80 CYP4F2 (0.60) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL7313853 0.80 CYP4F2 (0.60) CYP4F2CYP4A11PPARGPPARAPPARD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240051931-A1 HDAC INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2024-02-15 US disclosed
WO-2022120048-A1 HDAC INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-06-09 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 (1 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-20240051931-A1 HDAC INHIBITORS HDAC8, HDAC1, HDAC2 CYP4F2 4724/4885CYP4A11 3805/4885PPARG 342/4885

“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.