SCHEMBL5560718

SCHEMBL5560718

C=CC(CCO)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.44
CYP2C19 P33261 1/20 0.40
RIPK1 Q13546 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HRH1 P35367 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3785691 0.88 TRPA1 (0.38) TRPA1CYP2C19RIPK1ALDH1A1HRH1
SCHEMBL15951418 0.86 TRPA1 (0.37) TRPA1CYP2C19RIPK1ALDH1A1HRH1
SCHEMBL14654862 0.83 CYP2C19 (0.42) TRPA1CYP2C19RIPK1ALDH1A1LMNA
SCHEMBL4667833 0.83 CYP2C19 (0.42) TRPA1CYP2C19RIPK1ALDH1A1LMNA
SCHEMBL3804767 0.81 CYP2C19 (0.37) CYP2C19RIPK1ALDH1A1HRH1KDM4E
SCHEMBL16774656 0.79 TRPA1 (0.48) TRPA1RIPK1ALDH1A1HRH1LMNA
SCHEMBL6705012 0.79 CYP2C19 (0.36) CYP2C19RIPK1HRH1LMNAKDM4E
SCHEMBL3022300 0.79 AOC3 (0.42) CYP2C19RIPK1ALDH1A1HRH1LMNA
SCHEMBL28644783 0.79 HRH1 (0.56) CYP2C19HRH1
SCHEMBL13513553 0.79 TRPA1 (0.44) TRPA1CYP2C19ALDH1A1HRH1LMNA

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
EP-1137690-B2 PEG-BASED MACROMONOMERS, CHEMICALLY INERT POLYMERS PREPARED THEREFROM AND THE USE OF THESE POLYMERS FOR ORGANIC SYNTHESIS AND ENZYME REACTIONS CARLSBERG AS (DK) 2007-01-24 EP claimed
EP-1137690-B1 PEG-BASED MACROMONOMERS, CHEMICALLY INERT POLYMERS PREPARED THEREFROM AND THE USE OF THESE POLYMERS FOR ORGANIC SYNTHESIS AND ENZYME REACTIONS CARLSBERG AS (DK) 2004-11-10 EP claimed
EP-1137690-A2 PEG-BASED MACROMONOMERS, CHEMICALLY INERT POLYMERS PREPARED THEREFROM AND THE USE OF THESE POLYMERS FOR ORGANIC SYNTHESIS AND ENZYME REACTIONS Carlsberg A/S (DK) 2001-10-04 EP claimed
WO-2000018823-A2 PEG-BASED MACROMONOMERS, CHEMICALLY INERT POLYMERS PREPARED THEREFROM AND THE USE OF THESE POLYMERS FOR ORGANIC SYNTHESIS AND ENZYME REACTIONS CARLSBERG A/S (DK) 2000-04-06 WO claimed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
US-20040006081-A1 Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2004-01-08 US disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed
EP-1289957-A1 PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2003-03-12 EP disclosed
WO-2001087839-A1 PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2001-11-22 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-20040006081-A1 Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity CCR5, CCR2, CCR1 TRPA1 118/4885CYP2C19 714/4885RIPK1 1893/4885

“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.