SCHEMBL5565669

SCHEMBL5565669

COC(=O)c1ccc(CCCc2ccc(O)c(C)c2)cc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
KAT8 Q9H7Z6 2/20 0.43
ALOX5 P09917 1/20 0.43
OR51E2 Q9H255 1/20 0.43
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL5569389 0.84 BACE1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL5569783 0.81 KAT8 (0.57) ESR1ESR2KAT8ALOX15PPARA
SCHEMBL22907008 0.80 CYP4A11 (0.63) CA12CA1CA2CA7CA9
SCHEMBL529618 0.79 ESR1 (0.68) ESR1ESR2ALOX15HPGDNPSR1
SCHEMBL7854193 0.79 GAA (0.47) CA12CA1CA2CA7CA9
SCHEMBL28773091 0.79 PPARA (0.58) KAT8ALDH1A1ALOX15KDM4EGAA
SCHEMBL24106426 0.78 ESR1 (0.40) ESR1ALDH1A1ALOX15KDM4EGAA
SCHEMBL20725428 0.78 KAT8 (0.61) CA12CA1CA2CA7CA9
SCHEMBL3027090 0.78 CYP4A11 (0.46) CA12CA1CA2CA7CA9
SCHEMBL15498456 0.78 PPARA (0.50) KAT8ALDH1A1ALOX15KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210388007-A1 COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF WUHAN UNIVERSITY (CN) 2021-12-16 US disclosed
US-7312249-B2 Vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-25 US disclosed
EP-1537065-B1 ANALOGUES OF VITAMIN D GALDERMA RES & DEV (FR) 2006-11-02 EP disclosed
US-20050182144-A1 Novel vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-08-18 US disclosed
EP-1537065-A1 ANALOGUES OF VITAMIN D Galderma Research & Development, S.N.C. (FR) 2005-06-08 EP disclosed
WO-2004020379-A1 ANALOGUES OF VITAMIN D GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2004-03-11 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-20050182144-A1 Novel vitamin D analogues CYP24A1, CYP2R1, VDR ESR1 1406/4885ESR2 851/4885CA12 4456/4885
US-20210388007-A1 COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF CYP2F1, CYP4F3, CFH ESR1 2882/4885ESR2 1691/4885CA12 2167/4885

“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.