Sugi Predict

Sugi Predict / Compounds / SCHEMBL1406677

SCHEMBL1406677

SCHEMBL1406677

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ APP P05067 3/20 0.35
▸ TMEM97 Q5BJF2 4/20 0.34
▸ SIGMAR1 Q99720 4/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ HTR2A P28223 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
SCHEMBL1406679 1.00 ALDH1A1 (0.36) ALDH1A1GAATSHRMAPK1KMT2A
SCHEMBL1406642 0.89 MAPK1 (0.41) ALDH1A1GAATSHRMAPK1KMT2A
SCHEMBL1406474 0.89 MAPK1 (0.41) ALDH1A1GAATSHRMAPK1KMT2A
SCHEMBL1406860 0.84 TNFRSF1A (0.43) ALDH1A1GAATSHRMAPK1KMT2A
SCHEMBL1406397 0.84 TNFRSF1A (0.43) ALDH1A1GAATSHRMAPK1KMT2A
SCHEMBL6424544 0.82 MEN1 (0.33) ALDH1A1GAATSHRMAPK1KMT2A
SCHEMBL6419661 0.82 APP (0.37) ALDH1A1MAPK1KMT2AMEN1HSD17B10
SCHEMBL1406614 0.82 RARA (0.41) ALDH1A1HSD17B10APPSLC6A4HRH3
SCHEMBL1406612 0.82 RARA (0.41) ALDH1A1HSD17B10APPSLC6A4HRH3
SCHEMBL1406754 0.81 MAPK1 (0.37) ALDH1A1GAATSHRMAPK1KMT2A

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 ALDH1A1 124/4885GAA 1610/4885TSHR 56/4885

“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.