SCHEMBL5569682

SCHEMBL5569682

Cc1cc(CCCc2ccc(C(O)O)cc2)ccc1C=CC(O)C(C(F)(F)F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.33
SPHK2 Q9NRA0 1/20 0.33
SKP2 Q13309 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
CYP4Z1 Q86W10 1/20 0.30
CYP4F11 Q9HBI6 1/20 0.30
CYP4F12 Q9HCS2 1/20 0.30

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
SCHEMBL5569128 0.86 SPHK1 (0.34) SPHK1SPHK2
SCHEMBL5569764 0.85 SPHK1 (0.36) SPHK1SPHK2SKP2CYP1A2CYP3A4
SCHEMBL5569685 0.84 VDR (0.33) SPHK1SPHK2
SCHEMBL5569679 0.84 VDR (0.33) SPHK1SPHK2
SCHEMBL5569829 0.82 PGR (0.33) SPHK1SPHK2SKP2CYP1A2CYP3A4
SCHEMBL5569124 0.73 VDR (0.35) SPHK1SPHK2
SCHEMBL5569623 0.73
SCHEMBL5569683 0.72 VDR (0.34)
SCHEMBL5569688 0.72 VDR (0.34)
SCHEMBL5565560 0.71 ESR1 (0.30)

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 SPHK1 2476/4885SPHK2 2823/4885SKP2 3468/4885

“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.