SCHEMBL5047085

SCHEMBL5047085

CC1(C)CCC(C)(C)c2c(NCCc3ccc(F)cc3)cc(C(O)C=Cc3ccc(C(=O)O)c(O)c3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.42
RARB P10826 6/20 0.42
RARG P13631 5/20 0.42
RXRA P19793 2/20 0.33
PTPN1 P18031 1/20 0.32
ADRB1 P08588 2/20 0.31
ADRB3 P13945 2/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BCL2L1 Q07817 1/20 0.31
MCL1 Q07820 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
MMP1 P03956 1/20 0.31
ARG1 P05089 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 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
SCHEMBL5050777 0.93 RARA (0.42) RARARARBRARGRXRAPTPN1
SCHEMBL5044009 0.92 RARA (0.43) RARARARBRARGRXRAPTPN1
SCHEMBL5044015 0.92 RARA (0.43) RARARARBRARGRXRAPTPN1
SCHEMBL5044004 0.92 RARA (0.43) RARARARBRARGRXRAPTPN1
SCHEMBL5047279 0.91 RARA (0.41) RARARARBRARGRXRAPTPN1
SCHEMBL5047113 0.89 RARB (0.55) RARARARBRARGRXRARXRB
SCHEMBL5049673 0.85 RARA (0.44) RARARARBRARGRXRAPTPN1
SCHEMBL5049669 0.85 RARA (0.44) RARARARBRARGRXRAPTPN1
SCHEMBL5049667 0.85 RARA (0.44) RARARARBRARGRXRAPTPN1
SCHEMBL5043992 0.83 RARA (0.42) RARARARBRARGRXRAPTPN1

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-7326803-B2 Ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-02-05 US claimed
US-20050148670-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-07-07 US claimed
US-7326803-B2 Ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-02-05 US disclosed
US-20050148670-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-07-07 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-20050148670-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof RARA, RARB, RARG RARA 1/4885RARB 2/4885RARG 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.