SCHEMBL1594908

SCHEMBL1594908

COC1CCC(C)(C)C(C=CC(=O)O)=C1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
MAPT P10636 6/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RARA P10276 6/20 0.38
CYP26A1 O43174 3/20 0.38
HAO1 Q9UJM8 1/20 0.35
RXRA P19793 7/20 0.35
RARB P10826 4/20 0.35
RARG P13631 4/20 0.35
PTGS1 P23219 3/20 0.35
HIF1A Q16665 3/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
RORC P51449 2/20 0.35
CYP3A4 P08684 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
MAPK1 P28482 2/20 0.35
HTR2B P41595 2/20 0.35
BLM P54132 2/20 0.35

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
SCHEMBL1594905 1.00 CYP1A2 (0.50) CYP1A2MAPTALDH1A1SMN1; SMN2RARA
SCHEMBL1594293 0.87 CYP26A1 (0.41) CYP1A2MAPTALDH1A1SMN1; SMN2RARA
SCHEMBL1594296 0.87 CYP26A1 (0.41) CYP1A2MAPTALDH1A1SMN1; SMN2RARA
SCHEMBL954532 0.81 MAPT (0.65) CYP1A2MAPTALDH1A1SMN1; SMN2RARA
SCHEMBL954530 0.81 MAPT (0.65) CYP1A2MAPTALDH1A1SMN1; SMN2RARA
SCHEMBL4619550 0.81 CYP1A2 (0.44) CYP1A2MAPTALDH1A1SMN1; SMN2RARA
SCHEMBL4619546 0.81 CYP1A2 (0.44) CYP1A2MAPTALDH1A1SMN1; SMN2RARA
SCHEMBL8975623 0.78 MAPT (0.58) MAPTALDH1A1SMN1; SMN2RARACYP26A1
SCHEMBL960365 0.78 CYP1A2 (0.51) CYP1A2MAPTALDH1A1SMN1; SMN2RARA
SCHEMBL956142 0.75 MAPT (0.43) CYP1A2MAPTALDH1A1SMN1; SMN2RARA

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 6 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
EP-2046752-B1 VR1 VANILLOID RECEPTOR ANTAGONISTS WITH A IONONIC SUBSTRUCTURE PHARMESTE SRL (IT) 2010-05-19 EP disclosed
US-20100035923-A1 VR1 VANILLOID RECEPTOR ANTAGONISTS WITH A IONONIC SUBSTRUCTURE PHARMESTE S.R.L. (IT) 2010-02-11 US disclosed
EP-2046752-A1 VR1 VANILLOID RECEPTOR ANTAGONISTS WITH A IONONIC SUBSTRUCTURE Pharmeste S.r.l. (IT) 2009-04-15 EP disclosed
EP-1889837-A1 VR1 vanilloid receptor antagonists with a iononic substructure Pharmeste S.r.l. (IT) 2008-02-20 EP disclosed
WO-2008006481-A1 VR1 VANILLOID RECEPTOR ANTAGONISTS WITH A IONONIC SUBSTRUCTURE PHARMESTE S.R.L. (IT) 2008-01-17 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-20100035923-A1 VR1 VANILLOID RECEPTOR ANTAGONISTS WITH A IONONIC SUBSTRUCTURE TRPV1, TRPV6, TRPV2 CYP1A2 1074/4885MAPT 4168/4885ALDH1A1 1139/4885

“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.