SCHEMBL2098385

SCHEMBL2098385

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.39
RARB P10826 6/20 0.39
RARG P13631 6/20 0.39
HCAR3 P49019 1/20 0.33
CNR2 P34972 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL2098893 0.91 RARA (0.34) RARARARBRARG
SCHEMBL2098921 0.84 CYP1A2 (0.31) CYP1A2TSHR
SCHEMBL2098474 0.78 HCAR3 (0.34) HCAR3CNR2
SCHEMBL2098396 0.76 RARB (0.50) RARARARBRARGHCAR3
SCHEMBL2098114 0.72 RARA (0.39) RARARARBRARGHCAR3CYP2C9
SCHEMBL7714825 0.72 THRA (0.40)
SCHEMBL7717696 0.72 RARA (0.42) RARARARBRARGCYP1A2CYP3A4
SCHEMBL9130944 0.72 ALDH1A1 (0.49) CNR2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL7715241 0.70 THRA (0.49)
SCHEMBL2098706 0.70 CA12 (0.36) RARARARBRARG

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 RARA 1/4885RARB 2/4885RARG 3/4885

“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.