SCHEMBL2890000

SCHEMBL2890000

CCCc1cc(C(O)(CC)CC)ccc1-c1cc(OCc2cc(C)c(O)c(CO)c2)ccc1C

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.66
SHBG P04278 1/20 0.36
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
ESR1 P03372 1/20 0.32
MAOB P27338 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL2641441 0.89 VDR (0.84) VDRPPARGPPARDPPARAMAOB
SCHEMBL4881104 0.85 VDR (0.77) VDRPPARGPPARDPPARAMAOB
SCHEMBL4620770 0.81 VDR (0.66) VDR
SCHEMBL6564164 0.81 VDR (0.77) VDRPPARDMAOB
SCHEMBL2639763 0.80 VDR (0.67) VDRPPARGPPARDPPARAMAOB
SCHEMBL229168 0.80 VDR (1.00) VDRPPARGPPARDPPARAMAOB
SCHEMBL6564192 0.79 VDR (0.68) VDRPPARDMAOB
SCHEMBL2890399 0.78 VDR (0.73) VDRPPARGPPARDPPARA
SCHEMBL4894574 0.77 VDR (0.66) VDRPPARGPPARDPPARA
SCHEMBL2855063 0.77 VDR (1.00) VDRCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286285-A1 Pharmaceutical composition comprising oleaginous ointments and vitamin D or its derivatives in the solubilized state GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-11-11 US claimed
US-20100286285-A1 Pharmaceutical composition comprising oleaginous ointments and vitamin D or its derivatives in the solubilized state GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-11-11 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-20100286285-A1 Pharmaceutical composition comprising oleaginous ointments and vitamin D or its derivatives in the solubilized state CYP24A1, VDR, CYP2R1 VDR 2/4885SHBG 1998/4885PPARG 83/4885

“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.