SCHEMBL13871027

SCHEMBL13871027

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
PGR P06401 1/20 0.47
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 6/20 0.36
ALOX15 P16050 3/20 0.36
RECQL P46063 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 1/20 0.36
FNTA P49354 3/20 0.36
FNTB P49356 3/20 0.36
PTGS1 P23219 1/20 0.35
KMT2A Q03164 1/20 0.31
PTPN1 P18031 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL13871026 0.96 NR1I2 (0.53) NR1I2LMNAPGRPOLBKDM4E
SCHEMBL28250218 0.82 NR1I2 (0.46) NR1I2LMNAPGRPOLBKDM4E
SCHEMBL5324305 0.78 NR1I2 (0.39) NR1I2LMNAPGRPOLBALDH1A1
SCHEMBL5324312 0.78 NR1I2 (0.39) NR1I2LMNAPGRPOLBALDH1A1
SCHEMBL5324316 0.78 NR1I2 (0.39) NR1I2LMNAPGRPOLBALDH1A1
SCHEMBL13742848 0.77 KMT2A (0.59) NR1I2LMNAPGRPOLBKDM4E
SCHEMBL14394661 0.77 ALDH1A1 (0.39) NR1I2LMNAPGRPOLBKDM4E
SCHEMBL6906568 0.76 NR1I2 (0.51) NR1I2LMNAPGRPOLBKDM4E
SCHEMBL6905552 0.76 NR1I2 (0.56) NR1I2LMNAPGRPOLBKDM4E
SCHEMBL13871031 0.76 ALDH1A1 (0.46) NR1I2LMNAPGRKDM4EATM

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 NR1I2 352/4885LMNA 1059/4885PGR 185/4885

“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.