SCHEMBL4884826

SCHEMBL4884826

CCCc1cc(C(O)(CC)CC)ccc1-c1cc(NCc2ccc(CO)c(CO)c2)ccc1C

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.76
PPARA Q07869 1/20 0.32
FFAR1 O14842 2/20 0.32
FFAR4 Q5NUL3 2/20 0.32
ARG1 P05089 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL4894502 0.91 VDR (0.67) VDRPPARAFFAR1FFAR4ARG1
SCHEMBL2854700 0.91 VDR (0.61) VDRPPARAFFAR1FFAR4ARG1
SCHEMBL2639763 0.91 VDR (0.67) VDRPPARAFFAR1FFAR4NPC1
SCHEMBL4891909 0.89 VDR (0.84) VDR
SCHEMBL4888522 0.89 VDR (0.59) VDRPPARAFFAR1FFAR4
SCHEMBL2855063 0.87 VDR (1.00) VDR
SCHEMBL15057551 0.84 VDR (0.61) VDRPPARACYP3A4
SCHEMBL4883058 0.84 VDR (0.78) VDR
SCHEMBL4883065 0.83 VDR (0.71) VDR
SCHEMBL2641441 0.80 VDR (0.84) VDRPPARAFFAR1FFAR4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013092936-A2 USE OF 5-AMINOLEVULINIC ACID AND ESTERS, IN COMBINATION WITH A VITAMIN D DERIVATIVE OR ANALOG IN PHOTOCHEMOTHERAPY, AND THEIR USES IN TREATING ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-06-27 WO claimed
US-20080194528-A1 Pharmaceutical compositions comprising organopolysiloxane elastomers and solubilized bioactive compounds GALDERMA RESEARCH AND DEVELOPMENT (FR) 2008-08-14 US claimed
US-6924400-B2 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2005-08-02 US claimed
WO-2013092936-A2 USE OF 5-AMINOLEVULINIC ACID AND ESTERS, IN COMBINATION WITH A VITAMIN D DERIVATIVE OR ANALOG IN PHOTOCHEMOTHERAPY, AND THEIR USES IN TREATING ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-06-27 WO disclosed
US-20080194528-A1 Pharmaceutical compositions comprising organopolysiloxane elastomers and solubilized bioactive compounds GALDERMA RESEARCH AND DEVELOPMENT (FR) 2008-08-14 US disclosed
US-6924400-B2 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2005-08-02 US disclosed
US-20030195259-A1 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-10-16 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 (2 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-20030195259-A1 Triaromatic vitamin D analogues CYP24A1, CYP2R1, VDR VDR 3/4885PPARA 204/4885FFAR1 549/4885
US-20080194528-A1 Pharmaceutical compositions comprising organopolysiloxane elastomers and solubilized bioactive compounds CYP24A1, VDR, SOST VDR 2/4885PPARA 514/4885FFAR1 1797/4885

“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.