SCHEMBL4165394

SCHEMBL4165394

CC(C)Cc1cccc(=O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
ALOX15 P16050 5/20 0.44
ALOX12 P18054 5/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TP53 P04637 3/20 0.44
CYP3A4 P08684 3/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 2/20 0.44
ESR1 P03372 2/20 0.44
MAPK1 P28482 2/20 0.44
RECQL P46063 2/20 0.44
KMT2A Q03164 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
NR1I2 O75469 1/20 0.44
GMNN O75496 1/20 0.44

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
SCHEMBL21465802 0.82 OPRM1 (0.46) ALOX15ALOX12KDM4EALDH1A1TP53
SCHEMBL18166890 0.79 TRPA1 (0.54) GABRA1GABRB2ALDH1A1TP53MAPK1
SCHEMBL8539519 0.77 GABRA1 (0.50) GABRA1GABRB2SLC6A2HTR2AHTR2B
SCHEMBL647401 0.76 OPRM1 (0.54) GABRA1GABRB2ALOX15KDM4ECYP3A4
SCHEMBL6046238 0.76 SLC7A5 (0.66) ALOX15KDM4ERECQLHIF1AHSD17B10
SCHEMBL18091143 0.76 CNR1 (0.50) ALDH1A1HPGDMAPK1DRD2CNR1
Phosphoric Acid SCHEMBL28056683 0.75 GABRA1 (0.46) GABRA1GABRB2ESR1LMNACYP2C9
Phosphoric Acid SCHEMBL29099239 0.75 GABRA1 (0.46) GABRA1GABRB2ESR1LMNACYP2C9
SCHEMBL18091153 0.74 CNR1 (0.48) ALDH1A1HPGDMAPK1DRD2CNR1
SCHEMBL18091141 0.74 CNR1 (0.48) ALDH1A1HPGDMAPK1DRD2CNR1

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-20090081134-A1 Oral Care Compositions Comprising Tropolone Compounds and Essential Oils and Methods of Using The Same PAN PAULINE 2009-03-26 US disclosed
EP-1536759-A1 ORAL CARE COMPOSITION COMPRISING TROPOLONE COMPOUNDS AND ESSENTIAL OILS Warner-Lambert Company LLC (US) 2005-06-08 EP disclosed
US-20040185010-A1 Oral care compositions comprising tropolone compounds and essential oils and methods of using the same MCNEIL-PPC, INC 2004-09-23 US disclosed
WO-2004012692-A1 ORAL CARE COMPOSITION COMPRISING TROPOLONE COMPOUNDS AND ESSENTIAL OILS WARNER-LAMBERT COMPANY LLC (US) 2004-02-12 WO disclosed
US-20040018154-A1 ORAL CARE COMPOSITIONS COMPRISING TROPOLONE COMPOUNDS AND ESSENTIAL OILS AND METHODS OF USING THE SAME MCNEIL-PPC, INC 2004-01-29 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 (3 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-20090081134-A1 Oral Care Compositions Comprising Tropolone Compounds and Essential Oils and Methods of Using The Same TMSB10, PIGS, TPM3 GABRA1 2641/4885GABRB2 3843/4885ALOX15 21/4885
US-20040185010-A1 Oral care compositions comprising tropolone compounds and essential oils and methods of using the same TMSB10, PIGS, TPM3 GABRA1 2641/4885GABRB2 3843/4885ALOX15 21/4885
US-20040018154-A1 ORAL CARE COMPOSITIONS COMPRISING TROPOLONE COMPOUNDS AND ESSENTIAL OILS AND METHODS OF USING THE SAME TMSB10, PIGS, TPM3 GABRA1 2641/4885GABRB2 3843/4885ALOX15 21/4885

“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.