SCHEMBL19600971

SCHEMBL19600971

C/C(=C\Cc1cc(O)ccc1O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
HTT P42858 2/20 0.46
PTPN1 P18031 4/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C3 P42330 1/20 0.41
ALOX5 P09917 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP19A1 P11511 2/20 0.40
EGFR P00533 1/20 0.40
TYR P14679 2/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
PDE4A P27815 1/20 0.38

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
Prenylhydroquinone SCHEMBL7036748 0.83 HTT (0.64) PTGS1PTGS2HTTPTPN1ALDH1A1
Prenylhydroquinone SCHEMBL5823293 0.76 HTT (0.59) PTGS1PTGS2HTTPTPN1ALDH1A1
Geroquinol SCHEMBL29929565 0.73 ALOX5 (0.57) PTPN1ALOX5ALOX15
Geroquinol SCHEMBL557012 0.73 ALOX5 (0.57) PTPN1ALOX5ALOX15
Geroquinol SCHEMBL557013 0.73 ALOX5 (0.57) PTPN1ALOX5ALOX15
SCHEMBL16435130 0.73 PTPN1 (0.51) PTGS1PTPN1ALOX5ALOX15EGFR
SCHEMBL31536036 0.72 ALOX5 (0.59) PTPN1ALOX5ALOX15
SCHEMBL8017471 0.72 ALOX5 (0.59) PTPN1ALOX5ALOX15
Geranylgeranylhydroquinone SCHEMBL8025990 0.72 ALOX5 (0.59) PTPN1ALOX5ALOX15
SCHEMBL2943955 0.72 ALOX5 (0.59) PTPN1ALOX5ALOX15

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-10376476-B2 Panicein compounds, compositions and uses thereof UNIVERSITE NICE SOPHIA ANTIPOLIS (FR) 2019-08-13 US disclosed
US-20180200200-A1 PANICEIN COMPOUNDS, COMPOSITIONS AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-07-19 US disclosed
US-20180200200-A1 PANICEIN COMPOUNDS, COMPOSITIONS AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-07-19 US disclosed
US-20170326076-A1 PANICEIN COMPOUNDS, COMPOSITIONS AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-11-16 US disclosed
US-20170326076-A1 PANICEIN COMPOUNDS, COMPOSITIONS AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-11-16 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-20170326076-A1 PANICEIN COMPOUNDS, COMPOSITIONS AND USES THEREOF ABCC1, ABCB1, SLC47A1 PTGS1 871/4885PTGS2 1253/4885HTT 3273/4885
US-10376476-B2 Panicein compounds, compositions and uses thereof ABCC1, ABCB1, SLC47A1 PTGS1 871/4885PTGS2 1253/4885HTT 3273/4885
US-20180200200-A1 PANICEIN COMPOUNDS, COMPOSITIONS AND USES THEREOF ABCC1, ABCB1, SLC47A1 PTGS1 871/4885PTGS2 1253/4885HTT 3273/4885

“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.