SCHEMBL2098474

SCHEMBL2098474

C#CC(O)c1ccc(N(CC)CC)c(C(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.34
CRHR1 P34998 2/20 0.32
HSP90AA1 P07900 2/20 0.30
HSP90AB1 P08238 2/20 0.30
CNR2 P34972 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
SCHEMBL12889911 0.81 CRHR1 (0.43) CRHR1HSP90AA1HSP90AB1
SCHEMBL2098385 0.78 RARA (0.39) HCAR3CNR2
SCHEMBL2099560 0.75 HCAR3 (0.43) HCAR3HSP90AA1HSP90AB1
SCHEMBL10775421 0.73 AOC3 (0.36)
SCHEMBL2098893 0.73 RARA (0.34)
SCHEMBL2099746 0.73 ALDH1A1 (0.41) CRHR1HSP90AA1HSP90AB1
SCHEMBL9130944 0.73 ALDH1A1 (0.49) HSP90AA1CNR2
SCHEMBL3633710 0.71 MELK (0.39) HSP90AA1HSP90AB1
SCHEMBL2098789 0.68 GABRA1 (0.32)
SCHEMBL3634001 0.68 CYP1A1 (0.33) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163952-B2 RAR receptor agonist ligands and use thereof in human medicine and cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-04-24 US disclosed
EP-2146951-B1 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RES & DEV (FR) 2010-12-01 EP disclosed
US-20100261754-A1 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-10-14 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-20100261754-A1 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS RARA, RARB, RARG HCAR3 60/4885CRHR1 876/4885HSP90AA1 3550/4885

“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.