SCHEMBL4426787

SCHEMBL4426787

Cc1ccc(C2OC=C(c3c(C)cc(C(=O)O)cc3C)O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TTR P02766 1/20 0.37
SRD5A2 P31213 1/20 0.36
TPMT P51580 1/20 0.35
P2RY14 Q15391 2/20 0.34
S1PR1 P21453 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
IP6K1 Q92551 1/20 0.33
IP6K3 Q96PC2 1/20 0.33
IP6K2 Q9UHH9 1/20 0.33
TSHR P16473 1/20 0.33
PDE5A O76074 1/20 0.33
GRM1 Q13255 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 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
SCHEMBL8047467 0.66 TPMT (0.59) ALDH1A1SMN1; SMN2TTRTPMTMEN1
SCHEMBL12554731 0.66 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2SRD5A2TPMTPOLB
SCHEMBL11368835 0.65 TPMT (0.65) ALDH1A1SMN1; SMN2TTRSRD5A2TPMT
SCHEMBL11365502 0.63 TPMT (0.50) ALDH1A1SMN1; SMN2TTRTPMTMEN1
SCHEMBL11364393 0.63 TPMT (0.50) ALDH1A1SMN1; SMN2TTRTPMTMEN1
SCHEMBL11364433 0.63 TPMT (0.50) ALDH1A1SMN1; SMN2TTRTPMTMEN1
Ethylene SCHEMBL10831593 0.62 TPMT (0.54) ALDH1A1SMN1; SMN2TTRTPMTMEN1
SCHEMBL11375016 0.62 TPMT (0.56) ALDH1A1SMN1; SMN2TTRSRD5A2TPMT
SCHEMBL11362892 0.62 TPMT (0.56) ALDH1A1SMN1; SMN2TTRSRD5A2TPMT
SCHEMBL11372146 0.62 TPMT (0.56) ALDH1A1SMN1; SMN2TTRSRD5A2TPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 ALDH1A1 2107/4885SMN1; SMN2 3167/4885TTR 1418/4885

“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.