SCHEMBL6281310

SCHEMBL6281310

CCOC(=O)/C=C(/C)CP(=O)(CC)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
HCAR2 Q8TDS4 1/20 0.42
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
GLO1 Q04760 1/20 0.33
MAPT P10636 5/20 0.33
KDM4E B2RXH2 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
GALK1 P51570 1/20 0.31
CCR6 P51684 1/20 0.31
BLM P54132 1/20 0.31
MCL1 Q07820 1/20 0.31
HKDC1 Q2TB90 1/20 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
SCHEMBL6279268 1.00 NPSR1 (0.46) NPSR1HCAR2CYP2D6CYP2C9CYP2C19
SCHEMBL19968924 0.83 NPSR1 (0.47) NPSR1HCAR2CYP2D6CYP2C9CYP2C19
SCHEMBL26362107 0.83 NPSR1 (0.47) NPSR1HCAR2CYP2D6CYP2C9CYP2C19
SCHEMBL3901929 0.83 CYP2D6 (0.56) NPSR1HCAR2CYP2D6CYP2C9CYP2C19
SCHEMBL15480725 0.83 NPSR1 (0.47) NPSR1HCAR2CYP2D6CYP2C9CYP2C19
SCHEMBL3901931 0.83 CYP2D6 (0.56) NPSR1HCAR2CYP2D6CYP2C9CYP2C19
SCHEMBL711893 0.80 NPSR1 (0.44) NPSR1HCAR2CYP2D6CYP2C9CYP2C19
SCHEMBL2079724 0.80 NPSR1 (0.44) NPSR1HCAR2CYP2D6CYP2C9CYP2C19
SCHEMBL6508196 0.76 KDM4E (0.41) HCAR2KDM4EATM
SCHEMBL11864461 0.76 NPSR1 (0.41) NPSR1HCAR2CYP2D6CYP2C9CYP2C19

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
WO-2005042509-A1 7-`(7-ALKOXY)-CHROM-3-EN-6-YL!-HEPTATRIENOIC ACID AND 7-`(3­ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL!-HEPTATRIENOIC ACID DERIVATIVES MODULATORS ALLERGAN, INC. (US) 2005-05-12 WO disclosed
US-20050096380-A1 7-[(7-ALKOXY)-CHROM-3-EN-6-YL]-HEPTATRIENOIC ACID AND 7-[(3-ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL]-HEPTATRIENOIC ACID DERIVATIVES HAVING SERUM GLUCOSE REDUCING ACTIVITY ALLERGAN, INC. 2005-05-05 US disclosed
US-6887896-B1 7-[(7-Alkoxy)-chrom-3-en-6-yl]-heptatrienoic acid and 7-[(3-alkoxy)-5,6-dihydronaphthalen-2-yl]-heptatrienoic acid derivatives having serum glucose reducing activity ALLERGAN, INC. (US) 2005-05-03 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-20050096380-A1 7-[(7-ALKOXY)-CHROM-3-EN-6-YL]-HEPTATRIENOIC ACID AND 7-[(3-ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL]-HEPTATRIENOIC ACID DERIVATIVES HAVING SERUM GLUCOSE REDUCING ACTIVITY TPO, THRA, FABP6 NPSR1 3373/4885HCAR2 509/4885CYP2D6 169/4885

“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.