SCHEMBL1406676

SCHEMBL1406676

CC(C)CCNc1c(N2CCN(C)CC2)cc(C(O)C#Cc2ccc(C(=O)O)cc2)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
RBP4 P02753 1/20 0.34
CHEK1 O14757 2/20 0.32
RARB P10826 4/20 0.32
RARG P13631 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
RARA P10276 3/20 0.32
ACACB O00763 1/20 0.31
GRM5 P41594 2/20 0.31
ERAP1 Q9NZ08 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
SCHEMBL1406675 0.92 HDAC3 (0.35) HDAC3HDAC8RBP4CHEK1RARB
SCHEMBL1406938 0.89 HTR6 (0.38) RBP4MEN1KMT2AGRM5
SCHEMBL1406910 0.87 RBP4 (0.38) RBP4MEN1KMT2AGRM5
SCHEMBL1406674 0.83 RBP4 (0.35) HDAC3HDAC8RBP4CHEK1RARB
SCHEMBL1406997 0.82 RARA (0.38) HDAC3HDAC8RBP4CHEK1RARB
SCHEMBL1406664 0.79 RARB (0.42) RARBRARGRARA
SCHEMBL1406374 0.79 RARG (0.34) RARBRARGRARAACACBGRM5
SCHEMBL1406766 0.77 MAPK1 (0.43) RBP4RARBRARGMEN1KMT2A
SCHEMBL1406937 0.77 RBP4 (0.38) RBP4CHEK1RARBRARGMEN1
SCHEMBL1406686 0.77 TP53 (0.44) HDAC3HDAC8RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513793-B1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2011-03-09 EP claimed
US-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-16 US claimed
EP-1513793-B1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2011-03-09 EP disclosed
US-7468457-B2 Ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-23 US disclosed
US-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-16 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 (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-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof RARA, RARB, RARG HDAC3 1804/4885HDAC8 1086/4885RBP4 40/4885

“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.