SCHEMBL2468115

SCHEMBL2468115

C=CCc1ccc(-c2ccccc2C(=O)O)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PTGS1 P23219 2/20 0.53
ALDH1A1 P00352 4/20 0.52
PPARA Q07869 3/20 0.52
PPARG P37231 1/20 0.52
PPARD Q03181 1/20 0.52
ALOX5 P09917 2/20 0.52
AR P10275 1/20 0.52
TRPM8 Q7Z2W7 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPT P10636 2/20 0.49
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
FOLH1 Q04609 1/20 0.48
KDM4E B2RXH2 3/20 0.46

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
Acetic Acid SCHEMBL6325287 0.84 ALOX5 (0.58) CYP3A4MEN1KMT2ATDP1L3MBTL1
SCHEMBL2554889 0.82 ALDH1A1 (0.63) CYP3A4MEN1KMT2ATDP1L3MBTL1
SCHEMBL29368253 0.82 ALDH1A1 (0.63) CYP3A4MEN1KMT2ATDP1L3MBTL1
SCHEMBL6325283 0.82 PTGS1 (0.71) CYP3A4MEN1KMT2ATDP1L3MBTL1
SCHEMBL6323578 0.81 ALOX5 (0.66) CYP3A4MEN1KMT2ATDP1L3MBTL1
SCHEMBL5199599 0.81 MEN1 (0.64) CYP3A4MEN1KMT2ATDP1L3MBTL1
SCHEMBL31438938 0.81 MEN1 (0.64) CYP3A4MEN1KMT2ATDP1L3MBTL1
Eugenol SCHEMBL4652636 0.81 ALDH1A1 (0.70) CYP3A4MEN1KMT2ATDP1L3MBTL1
Eugenol SCHEMBL28141128 0.78 ALDH1A1 (0.65) CYP3A4MEN1KMT2ATDP1L3MBTL1
SCHEMBL21749561 0.78 NPC1 (0.57) CYP3A4MEN1KMT2ATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2555763-A1 VIRAL INHIBITOR COMPOSITIONS FOR IN VIVO THERAPEUTIC USE COMPRISING A COMBINATION OF (-) -CARVONE, GERANIOL AND A FURTHER ESSENTIAL OIL COMPONENT Cesa Alliance S.A. (LU) 2013-02-13 EP claimed
WO-2011117424-A1 VIRAL INHIBITOR COMPOSITIONS FOR IN VIVO THERAPEUTIC USE COMPRISING A COMBINATION OF (-) -CARVONE, GERANIOL AND A FURTHER ESSENTIAL OIL COMPONENT CESA ALLIANCE S.A. (LU) 2011-09-29 WO claimed
US-8980945-B2 Viral inhibitor compositions for in vivo therapeutic use comprising a combination of (−)-carvone, geraniol and a further essential oil component Cessa Alliance (LU) 2015-03-17 US disclosed
US-8883859-B1 Viral inhibitor compositions for in vivo therapeutic use comprising a combination of (-) -carvone, geraniol and a further essential oil component CESA ALLIANCE S.A. (LU) 2014-11-11 US disclosed
EP-2555763-B1 VIRAL INHIBITOR COMPOSITIONS FOR IN VIVO THERAPEUTIC USE COMPRISING A COMBINATION OF (-)-CARVONE, (+)-CARVONE, GERANIOL AND A FURTHER ESSENTIAL OIL COMPONENT CESA ALLIANCE SA (LU) 2014-04-30 EP disclosed
US-20130225676-A1 VIRAL INHIBITOR COMPOSITIONS FOR IN VIVO THERAPEUTIC USE COMPRISING A COMBINATION OF (-) -CARVONE, GERANIOL AND A FURTHER ESSENTIAL OIL COMPONENT CESA ALLIANCE S.A. (LU) 2013-08-29 US disclosed
US-4372835-A Silane-functionalized ultraviolet screen precursors GENERAL ELECTRIC CO. (US) 1983-02-08 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-20130225676-A1 VIRAL INHIBITOR COMPOSITIONS FOR IN VIVO THERAPEUTIC USE COMPRISING A COMBINATION OF (-) -CARVONE, GERANIOL AND A FURTHER ESSENTIAL OIL COMPONENT MED1, POLRMT, MED25 CYP3A4 1732/4885MEN1 3519/4885KMT2A 2403/4885

“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.