SCHEMBL13871017

SCHEMBL13871017

CC(=O)/C=C/C=C(C)/C=C/C=C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
ALOX15 P16050 3/20 0.54
RECQL P46063 3/20 0.54
HSD17B10 Q99714 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
TSHR P16473 2/20 0.54
PTGS1 P23219 4/20 0.52
MAPT P10636 8/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 3/20 0.41
PGR P06401 2/20 0.41
NR1I2 O75469 1/20 0.41
PTPN1 P18031 1/20 0.35
HIF1A Q16665 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GMNN O75496 2/20 0.33
PMP22 Q01453 2/20 0.33
APEX1 P27695 1/20 0.33
RXRA P19793 5/20 0.31
RARA P10276 4/20 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
SCHEMBL873403 0.89
SCHEMBL873402 0.89
SCHEMBL17241564 0.84 ALDH1A1 (0.56) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL8679515 0.84 ALDH1A1 (0.56) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL2832568 0.84 ALDH1A1 (0.56) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL29470882 0.84 ALDH1A1 (0.56) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL4623531 0.84 ALDH1A1 (0.56) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL4286077 0.84 ALDH1A1 (0.56) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL4120718 0.83 ALDH1A1 (0.52) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL4120715 0.83 ALDH1A1 (0.52) ALDH1A1ALOX15RECQLHSD17B10TDP1

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-20090092642-A1 Skin and/or Hair Products, Containing Compounds With an Isoprenoid Structure BEIERSDORF AG (DE) 2009-04-09 US disclosed
US-20090092642-A1 Skin and/or Hair Products, Containing Compounds With an Isoprenoid Structure BEIERSDORF AG (DE) 2009-04-09 US disclosed
WO-2005102252-A9 SKIN AND/OR HAIR PRODUCTS, CONTAINING COMPOUNDS WITH AN ISOPRENOID STRUCTURE BEIERSDORF AG (DE) 2007-01-11 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-20090092642-A1 Skin and/or Hair Products, Containing Compounds With an Isoprenoid Structure SRD5A2, SRD5A1, CUTA ALDH1A1 2012/4885ALOX15 222/4885RECQL 900/4885

“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.