SCHEMBL5569463

SCHEMBL5569463

Cc1cc(C2(CCc3ccc(CO)c(CO)c3)CCCCC2)ccc1OCC(O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.35
PPARA Q07869 1/20 0.33
VDR P11473 6/20 0.32
ADRB2 P07550 4/20 0.31
ADRB1 P08588 2/20 0.31
ADRA2A P08913 1/20 0.31
ADRB3 P13945 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
HIF1A Q16665 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL5570033 0.99 S1PR1 (0.34) S1PR1PPARAVDRADRB2ADRB1
SCHEMBL5565401 0.90 S1PR1 (0.32) S1PR1TSHRCNR1CNR2ALDH1A1
SCHEMBL5568274 0.90 VDR (0.44) VDRAR
SCHEMBL5568447 0.89 VDR (0.44) VDRAR
SCHEMBL5570234 0.89 TSHR (0.31) S1PR1TSHRALDH1A1
SCHEMBL5568642 0.84 S1PR1 (0.34) S1PR1CNR1CNR2
SCHEMBL5569622 0.83 S1PR1 (0.33) S1PR1VDRCNR1CNR2
SCHEMBL5569795 0.80 CNR1 (0.30) CNR1CNR2
SCHEMBL5569718 0.79 VDR (0.37) VDRAR
SCHEMBL5569395 0.79 S1PR1 (0.32) S1PR1

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 4 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 claimed
US-20050182144-A1 Novel vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-08-18 US claimed
US-7312249-B2 Vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-25 US 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 S1PR1 2544/4885PPARA 134/4885VDR 3/4885

“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.