SCHEMBL5565048

SCHEMBL5565048

CCc1cc(CCCc2ccc(C(O)O)cc2)ccc1OCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
ADRB3 P13945 4/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
MAPT P10636 1/20 0.40
F2 P00734 1/20 0.40
ELANE P08246 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
PTGIR P43119 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PLA2G1B P04054 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
SCHEMBL5569708 0.86 FFAR4 (0.48) PPARAPPARGADRB3TP53MAPT
SCHEMBL5565041 0.82 PTGDR2 (0.51) PPARAPPARGTSHRTP53MDM2
SCHEMBL6386988 0.81 PPARA (0.41) PPARAPPARGPTGDR2ALDH1A1HPGD
SCHEMBL5564796 0.81 HDAC6 (0.40)
SCHEMBL8166807 0.80 TSHR (0.61) PPARAPPARGTSHRPTGDR2MAPT
SCHEMBL5696303 0.79 TSHR (0.64) PPARAPPARGTSHRPTGDR2MAPT
SCHEMBL11847623 0.77 PPARA (0.59) PPARAPPARGTSHRPTGDR2MAPT
SCHEMBL5650180 0.77 PTGDR2 (0.56) PTGDR2MAPTF2ELANE
SCHEMBL5569448 0.76 BACE1 (0.57) PPARA
SCHEMBL6812817 0.74 ADRB3 (0.78) ADRB3

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-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

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 PPARA 134/4885PPARG 57/4885ADRB3 748/4885

“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.