SCHEMBL2099952

SCHEMBL2099952

CCN(CC)c1ccc(C=O)cc1C(C)C

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 5/20 0.61
ALDH3A1 P30838 5/20 0.55
ALDH1A1 P00352 10/20 0.50
TYR P14679 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.36
CYP2A6 P11509 2/20 0.36
CYP2A13 Q16696 1/20 0.36
HTT P42858 1/20 0.34
MAPT P10636 2/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 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
SCHEMBL9362085 0.77 ALDH1A3 (0.67) ALDH1A3ALDH3A1ALDH1A1TYRL3MBTL1
SCHEMBL11521133 0.76 ALDH1A3 (1.00) ALDH1A3ALDH3A1ALDH1A1TYRL3MBTL1
SCHEMBL9362042 0.76 ALDH1A3 (0.76) ALDH1A3ALDH3A1ALDH1A1TYRL3MBTL1
SCHEMBL27251678 0.76 ALDH1A3 (0.65) ALDH1A3ALDH3A1ALDH1A1TYRL3MBTL1
SCHEMBL7995434 0.76 ALDH1A3 (0.65) ALDH1A3ALDH3A1ALDH1A1L3MBTL1CYP2A6
SCHEMBL31299763 0.76 ALDH1A3 (0.65) ALDH1A3ALDH3A1ALDH1A1KDM4EHPGD
SCHEMBL12889911 0.75 CRHR1 (0.43) ALDH1A3TSHRKDM4EHSP90AA1HSP90AB1
SCHEMBL9322668 0.74 TYR (0.48) ALDH1A3ALDH3A1ALDH1A1TYRCYP2A6
SCHEMBL29818670 0.74 TYR (0.48) ALDH1A3ALDH1A1TYRCYP2A6MAPT
SCHEMBL9231758 0.74 TYR (0.52) ALDH1A3ALDH1A1TYRCYP2A6CYP2A13

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
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
EP-2146951-A2 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS Galderma Research & Development (FR) 2010-01-27 EP disclosed
WO-2008152260-A2 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-18 WO 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 ALDH1A3 120/4885ALDH3A1 456/4885ALDH1A1 199/4885

“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.