SCHEMBL5568404

SCHEMBL5568404

CCOCOc1ccc(CCCc2ccc(C(=O)OC)c(C(=O)OC)c2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.40
FFAR4 Q5NUL3 6/20 0.39
FFAR1 O14842 2/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 6/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 3/20 0.37
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL5565295 0.88 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2HPGDFFAR4
SCHEMBL5566469 0.81 VDR (0.51) SMN1; SMN2HPGDFFAR4FFAR1
SCHEMBL5565669 0.77 ESR1 (0.45) ALDH1A1HPGDPPARAMAPTKDM4E
SCHEMBL5569733 0.76 PPARA (0.46) HPGDFFAR4FFAR1PPARGPPARA
SCHEMBL28773091 0.74 PPARA (0.58) ALDH1A1HPGDPPARGPPARAMAPT
SCHEMBL5568363 0.74 PPARA (0.44) HTTPPARGPPARAMAPTLMNA
SCHEMBL15498456 0.73 PPARA (0.50) ALDH1A1HPGDPPARGPPARAMAPT
SCHEMBL22907008 0.72 CYP4A11 (0.63) ALDH1A1HTTHPGDPPARGPPARA
SCHEMBL26270868 0.72 MAPT (0.51) ALDH1A1HTTSMN1; SMN2HPGDPPARG
SCHEMBL7854193 0.71 GAA (0.47) ALDH1A1HPGDFFAR4PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20050182144-A1 Novel vitamin D analogues CYP24A1, CYP2R1, VDR ALDH1A1 121/4885HTT 4034/4885SMN1; SMN2 4799/4885

“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.