SCHEMBL6880108

SCHEMBL6880108

C=CCOC(=O)C=CC=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
APP P05067 1/20 0.44
CYP3A4 P08684 3/20 0.38
TSHR P16473 6/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 1/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
ATM Q13315 1/20 0.30
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SNCA P37840 1/20 0.30
MEN1 O00255 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
SCHEMBL6880098 1.00 MAPT (0.53) MAPTCACNA1BAPBA1APPCYP3A4
SCHEMBL2945906 0.89 MAPT (0.59) MAPTCACNA1BAPBA1APPCYP3A4
SCHEMBL2945907 0.89 MAPT (0.59) MAPTCACNA1BAPBA1APPCYP3A4
SCHEMBL11325124 0.84 MAPT (0.55) MAPTCACNA1BAPBA1APPCYP3A4
SCHEMBL11325121 0.84 MAPT (0.55) MAPTCACNA1BAPBA1APPCYP3A4
SCHEMBL36139 0.84 MAPT (0.69) MAPTCACNA1BAPBA1APPCYP3A4
SCHEMBL36375 0.84 MAPT (0.69) MAPTCACNA1BAPBA1APPCYP3A4
SCHEMBL6885967 0.84 MAPT (0.69) MAPTCACNA1BAPBA1APPCYP3A4
SCHEMBL36140 0.84 MAPT (0.69) MAPTCACNA1BAPBA1APPCYP3A4
SCHEMBL7809914 0.81 MAPT (0.67) MAPTCACNA1BAPBA1APPCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4048215-A Process for preparation of trans-chrysanthemates ROUSSEL ULCAF (FR) 1977-09-13 US claimed
WO-2016024287-A1 AN IMPROVED PROCESS FOR PREPARING PURE MINODRONIC ACID AND INTERMEDIATES THEREOF IND-SWIFT LABORATORIES LIMITED (IN) 2016-02-18 WO disclosed
US-20040248913-A1 (Pyridinyl and pyrimidyl) trienoic acid derivatives as retinoid x receptor modulators LIGAND PHARMACEUTICALS, INC. 2004-12-09 US disclosed
EP-1414450-A1 (PYRIDINYL AND PYRIMIDYL)TRIENOIC ACID DERIVATIVES AS RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-05-06 EP disclosed
WO-2003007950-A1 (PYRIDINYL AND PYRIMIDYL) TRIENOIC ACID DERIVATIVES AS RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-01-30 WO disclosed
US-4266075-A Bicyclic aldehyde derivatives, their use as perfuming and flavoring ingredients and process for their preparation FIRMENICH, S.A. (CH) 1981-05-05 US disclosed
US-4218347-A Bicyclic aldehyde perfuming and flavoring ingredients FIRMENICH SA (CH) 1980-08-19 US disclosed
US-4048215-A Process for preparation of trans-chrysanthemates ROUSSEL ULCAF (FR) 1977-09-13 US disclosed
US-4048215-A Process for preparation of trans-chrysanthemates ROUSSEL ULCAF (FR) 1977-09-13 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-20040248913-A1 (Pyridinyl and pyrimidyl) trienoic acid derivatives as retinoid x receptor modulators TSHR, THRA, RXRA MAPT 4803/4885CACNA1B 4832/4885APBA1 2826/4885

“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.