SCHEMBL2099433

SCHEMBL2099433

C#CC(O)c1ccc(N2CCCC2)c(C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 8/20 0.37
RARA P10276 3/20 0.36
RARB P10826 3/20 0.36
RARG P13631 3/20 0.36
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
CRHBP P24387 1/20 0.32
HTT P42858 1/20 0.32
CRHR2 Q13324 1/20 0.32
GAA P10253 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
THRB P10828 1/20 0.32
NR4A1 P22736 1/20 0.32

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
SCHEMBL2100397 0.99 RBP4 (0.36) RBP4RARARARBRARGALDH1A1
SCHEMBL15723316 0.78 CRHR1 (0.39) RBP4RARARARBRARGMEN1
SCHEMBL29149565 0.77 ALDH1A1 (0.48) MEN1ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL2098805 0.75 RARB (0.46) RBP4RARARARBRARGMEN1
SCHEMBL2099841 0.75 RARB (0.46) RBP4RARARARBRARGMEN1
SCHEMBL7717696 0.71 RARA (0.42) RARARARBRARGMEN1ALDH1A1
SCHEMBL2098921 0.71 CYP1A2 (0.31) ALDH1A1HSD17B10
SCHEMBL9533465 0.71 ALDH1A1 (0.41) MEN1ALDH1A1MAPTKMT2AHTT
SCHEMBL3722583 0.69 RARA (0.40) RBP4RARARARBRARGMEN1
SCHEMBL19937820 0.69 ALDH1A1 (0.53) RBP4RARARARBRARGALDH1A1

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 RBP4 99/4885RARA 1/4885RARB 2/4885

“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.