SCHEMBL5453217

SCHEMBL5453217

CC(=CC=N[C@@H](C)C(=O)O)C(C)=CC1=C(C)CCCC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
RXRA P19793 8/20 0.42
ALDH1A1 P00352 7/20 0.42
RARA P10276 6/20 0.42
RARB P10826 6/20 0.42
RARG P13631 6/20 0.42
MAPT P10636 4/20 0.42
PTGS1 P23219 4/20 0.42
CYP3A4 P08684 4/20 0.42
RXRB P28702 4/20 0.42
RXRG P48443 4/20 0.42
RORC P51449 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
MAPK1 P28482 2/20 0.42
HTR2B P41595 2/20 0.42
BLM P54132 2/20 0.42
HIF1A Q16665 2/20 0.42
DRD3 P35462 2/20 0.42
LMNA P02545 2/20 0.42
APP P05067 2/20 0.42

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
SCHEMBL5453209 1.00 CYP1A2 (0.45) CYP1A2RXRAALDH1A1RARARARB
SCHEMBL5453214 1.00 CYP1A2 (0.45) CYP1A2RXRAALDH1A1RARARARB
SCHEMBL5442618 0.97 ALDH1A1 (0.42) CYP1A2RXRAALDH1A1RARARARB
SCHEMBL5442620 0.97 ALDH1A1 (0.42) CYP1A2RXRAALDH1A1RARARARB
SCHEMBL5442624 0.97 ALDH1A1 (0.42) CYP1A2RXRAALDH1A1RARARARB
SCHEMBL5439763 0.85 CYP1A2 (0.44) CYP1A2RXRAALDH1A1RARARARB
SCHEMBL14429661 0.85 CYP1A2 (0.44) CYP1A2RXRAALDH1A1RARARARB
SCHEMBL5439756 0.85 CYP1A2 (0.44) CYP1A2RXRAALDH1A1RARARARB
SCHEMBL5439752 0.85 CYP1A2 (0.44) CYP1A2RXRAALDH1A1RARARARB
SCHEMBL5437099 0.81 CYP1A2 (0.48) CYP1A2RXRAALDH1A1RARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070189984-A1 Agents for use on skin and/or hair containing quadruply substituted cyclohexene compounds BEIERSDORF AF, (DE) 2007-08-16 US claimed
EP-1675560-A1 AGENTS FOR USE ON SKIN AND/OR HAIR CONTAINING QUADRUPLY SUBSTITUTED CYCLOHEXENE COMPOUNDS Beiersdorf AG (DE) 2006-07-05 EP claimed
WO-2005032501-A1 AGENTS FOR USE ON SKIN AND/OR HAIR CONTAINING QUADRUPLY SUBSTITUTED CYCLOHEXENE COMPOUNDS BEIERSDORF AG (DE) 2005-04-14 WO claimed
US-20070189984-A1 Agents for use on skin and/or hair containing quadruply substituted cyclohexene compounds BEIERSDORF AF, (DE) 2007-08-16 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-20070189984-A1 Agents for use on skin and/or hair containing quadruply substituted cyclohexene compounds TYR, MC1R, MITF CYP1A2 167/4885RXRA 967/4885ALDH1A1 794/4885

“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.