SCHEMBL1406754

SCHEMBL1406754

CN1CCN(c2cc(C(O)C#Cc3ccc(C(=O)O)c(O)c3)cc(C(C)(C)C)c2OCc2ccccc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
IDH1 O75874 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
LRRK2 Q5S007 2/20 0.33
NEK2 P51955 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
HRH4 Q9H3N8 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MAOB P27338 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL6419661 0.90 APP (0.37) MAPK1KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL1406766 0.89 MAPK1 (0.43) MAPK1KMT2AMEN1HSD17B10TLR9
SCHEMBL6419665 0.85 APP (0.35) KMT2AMEN1TLR9TLR7ALDH1A1
SCHEMBL6419668 0.85 APP (0.35) KMT2AMEN1TLR9TLR7ALDH1A1
SCHEMBL1406493 0.82 RARA (0.41) MAPK1KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL1406679 0.81 ALDH1A1 (0.36) MAPK1KMT2AMEN1HSD17B10TLR9
SCHEMBL1406677 0.81 ALDH1A1 (0.36) MAPK1KMT2AMEN1HSD17B10TLR9
SCHEMBL6424544 0.81 MEN1 (0.33) MAPK1KMT2AMEN1HSD17B10TLR9
SCHEMBL6419213 0.75 APP (0.31)
SCHEMBL1406860 0.75 TNFRSF1A (0.43) MAPK1KMT2AMEN1HSD17B10ALDH1A1

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 MAPK1 2843/4885KMT2A 1896/4885MEN1 4777/4885

“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.