SCHEMBL1406397

SCHEMBL1406397

CN1CCN(c2cc(C(=O)/C=C/c3ccc(C(=O)O)c(O)c3)cc(C(C)(C)C)c2OCc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 3/20 0.43
APP P05067 3/20 0.43
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
MAOB P27338 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL1406860 1.00 TNFRSF1A (0.43) TNFRSF1AAPPCYSLTR2CYSLTR1HDAC3
SCHEMBL1406852 0.89 TNFRSF1A (0.49) TNFRSF1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL1406855 0.89 TNFRSF1A (0.49) TNFRSF1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL6419661 0.89 APP (0.37) TNFRSF1AAPPCYSLTR2CYSLTR1HDAC3
SCHEMBL1406677 0.84 ALDH1A1 (0.36) APPMAOBALDH1A1MAOAGAA
SCHEMBL1406679 0.84 ALDH1A1 (0.36) APPMAOBALDH1A1MAOAGAA
SCHEMBL6419665 0.82 APP (0.35) TNFRSF1AAPPHDAC3HDAC4HDAC1
SCHEMBL6419668 0.82 APP (0.35) TNFRSF1AAPPHDAC3HDAC4HDAC1
SCHEMBL1406465 0.82 TNFRSF1A (0.50) TNFRSF1AAPPCYSLTR2CYSLTR1ABCG2
SCHEMBL1406467 0.82 TNFRSF1A (0.50) TNFRSF1AAPPCYSLTR2CYSLTR1ABCG2

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 TNFRSF1A 87/4885APP 4439/4885CYSLTR2 207/4885

“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.