SCHEMBL2099746

SCHEMBL2099746

CCN(CC)c1ccc(Br)cc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.41
ALDH1A3 P47895 1/20 0.41
CCR5 P51681 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GBA1 P04062 1/20 0.38
CRHR1 P34998 5/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
FABP4 P15090 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
HPGD P15428 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
SCHEMBL12889911 0.79 CRHR1 (0.43) ALDH1A3CRHR1KDM4EHSP90AA1HSP90AB1
SCHEMBL3634001 0.76 CYP1A1 (0.33) ALDH1A3CRHR1
SCHEMBL382259 0.75 ALDH1A1 (0.45) ALDH1A1HTTALDH1A3CCR5GBA1
SCHEMBL2099952 0.74 ALDH1A3 (0.61) ALDH1A1HTTALDH1A3MAPTKDM4E
SCHEMBL6832796 0.73 ALDH1A1 (0.44) ALDH1A1HTTALDH1A3CCR5GBA1
SCHEMBL17047670 0.73 S100B (0.44) ALDH1A1HTTALDH1A3CCR5GBA1
SCHEMBL27159155 0.73 ALDH1A1 (0.44) ALDH1A1HTTALDH1A3CCR5GBA1
SCHEMBL382103 0.73 ALDH1A3 (0.47) ALDH1A1HTTALDH1A3CCR5GABRA1
SCHEMBL21177435 0.73 CCR5 (0.49) ALDH1A1HTTALDH1A3CCR5GBA1
SCHEMBL2098474 0.73 HCAR3 (0.34) CRHR1HSP90AA1HSP90AB1

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 ALDH1A1 199/4885HTT 4004/4885ALDH1A3 120/4885

“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.