SCHEMBL4672834

SCHEMBL4672834

COC(=O)/C=C/C1=C(C)C(Oc2ccccc2)CCC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.36
CYP2C19 P33261 2/20 0.35
HDAC4 P56524 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HAO1 Q9UJM8 1/20 0.34
KDM1A O60341 1/20 0.34
CYP1A2 P05177 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TYR P14679 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL4672835 1.00 CYP26A1 (0.39) CYP26A1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4619546 0.89 CYP1A2 (0.44) CYP26A1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4619550 0.89 CYP1A2 (0.44) CYP26A1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1594293 0.82 CYP26A1 (0.41) CYP26A1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1594296 0.82 CYP26A1 (0.41) CYP26A1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1594587 0.81 MMP1 (0.47) ALDH1A1MAPTSMN1; SMN2KDM4ECYP2C19
SCHEMBL1593920 0.75 TRPV1 (0.56) ALDH1A1MAPTSMN1; SMN2
SCHEMBL959172 0.74 MAPT (0.43) CYP26A1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL959171 0.74 MAPT (0.43) CYP26A1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL3407627 0.73 MAPT (0.65) CYP26A1ALDH1A1MAPTSMN1; SMN2KDM4E

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-7919624-B2 VR1 vanilloid receptor antagonists with a iononic substructure PHARMESTE S.R.L. (IT) 2011-04-05 US disclosed
US-20100035923-A1 VR1 VANILLOID RECEPTOR ANTAGONISTS WITH A IONONIC SUBSTRUCTURE PHARMESTE S.R.L. (IT) 2010-02-11 US disclosed
EP-1889837-A1 VR1 vanilloid receptor antagonists with a iononic substructure Pharmeste S.r.l. (IT) 2008-02-20 EP 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-20100035923-A1 VR1 VANILLOID RECEPTOR ANTAGONISTS WITH A IONONIC SUBSTRUCTURE TRPV1, TRPV6, TRPV2 CYP26A1 705/4885ALDH1A1 1139/4885MAPT 4168/4885

“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.