SCHEMBL5044004

SCHEMBL5044004

CC1(C)CCC(C)(C)c2c(NCc3ccc(F)cc3)cc(C(O)/C=C/c3ccc(C(=O)O)c(O)c3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.43
RARB P10826 6/20 0.43
RARG P13631 6/20 0.43
CISD1 Q9NZ45 1/20 0.37
PPARA Q07869 2/20 0.36
STING1 Q86WV6 1/20 0.36
RXRA P19793 3/20 0.34
PTPN1 P18031 1/20 0.33
HNF4A P41235 1/20 0.33
GAA P10253 1/20 0.33
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP26A1 O43174 1/20 0.32
HDAC4 P56524 1/20 0.31
MEF2D Q14814 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
SCHEMBL5044009 1.00 RARA (0.43) RARARARBRARGCISD1PPARA
SCHEMBL5044015 1.00 RARA (0.43) RARARARBRARGCISD1PPARA
SCHEMBL5049673 0.93 RARA (0.44) RARARARBRARGRXRAPTPN1
SCHEMBL5049667 0.93 RARA (0.44) RARARARBRARGRXRAPTPN1
SCHEMBL5049669 0.93 RARA (0.44) RARARARBRARGRXRAPTPN1
SCHEMBL5047085 0.92 RARA (0.42) RARARARBRARGRXRAPTPN1
SCHEMBL5043992 0.91 RARA (0.42) RARARARBRARGRXRAPTPN1
SCHEMBL5044002 0.91 RARA (0.42) RARARARBRARGRXRAPTPN1
SCHEMBL5043988 0.91 RARA (0.42) RARARARBRARGRXRAPTPN1
SCHEMBL5050770 0.88 RARB (0.57) RARARARBRARGPPARARXRA

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 6 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
EP-1513803-A1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP disclosed
WO-2003101945-A1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 WO 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.