SCHEMBL5044028

SCHEMBL5044028

CC1(C)CCC(C)(C)c2c(NCc3ccc(F)cc3)cc(C(O)C#Cc3ccc(C(=O)O)c(O)c3)cc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.36
RARA P10276 3/20 0.36
PPARA Q07869 3/20 0.36
STING1 Q86WV6 1/20 0.36
CISD1 Q9NZ45 1/20 0.35
RXRA P19793 6/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
HNF4A P41235 1/20 0.33
VNN1 O95497 3/20 0.33
RARG P13631 3/20 0.32
CYP26A1 O43174 2/20 0.32
CYP3A4 P08684 2/20 0.32
CRABP2 P29373 1/20 0.32
GAA P10253 1/20 0.31
CTNNB1 P35222 1/20 0.31
TCF7L2 Q9NQB0 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
SCHEMBL5047184 0.93 PLK1 (0.35) RARBRARARXRARXRBRXRG
SCHEMBL5043995 0.92 RARB (0.35) RARBRARARXRARXRBRXRG
SCHEMBL5043997 0.91 RXRA (0.35) RARBRARARXRARXRBRXRG
SCHEMBL5047086 0.88 RARB (0.42) RARBRARAPPARARXRARXRB
SCHEMBL5049701 0.85 HNF4A (0.34) RARBRARARXRARXRBRXRG
SCHEMBL5047076 0.84 VNN1 (0.38) RARBRARARXRAHNF4AVNN1
SCHEMBL5048423 0.84 MAOA (0.37) RARBRARAPPARARXRARXRB
SCHEMBL5047050 0.84 RXRA (0.34) RARBRARARXRARXRBRXRG
SCHEMBL5047254 0.84 HDAC6 (0.41) RXRAVNN1
SCHEMBL5043990 0.83 RXRA (0.35) RARBRARAPPARARXRARXRB

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
EP-1513803-A1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP claimed
WO-2003101945-A1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 WO 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 RARB 2/4885RARA 1/4885PPARA 9/4885

“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.