SCHEMBL19600968

SCHEMBL19600968

CC(C)C1(C)C=Cc2cc(O)ccc2O1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.60
▸ PTGS2 P35354 1/20 0.60
▸ XDH P47989 1/20 0.60
▸ MAPT P10636 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALPG P10696 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ PTPN1 P18031 3/20 0.41
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 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
SCHEMBL19600972 0.82 HIF1A (0.41) PTGS1PTGS2XDHMAPTGAA
SCHEMBL30140565 0.80 XDH (0.68) PTGS1PTGS2XDHMAPTGAA
SCHEMBL8723354 0.80 XDH (0.68) PTGS1PTGS2XDHMAPTGAA
SCHEMBL11098662 0.76 HTR2C (0.44) PTGS1PTGS2XDHMAPTGAA
Daedalin A SCHEMBL29983386 0.75 PTGS1 (1.00) PTGS1PTGS2XDHMAPTGAA
Quercinol SCHEMBL29967584 0.74 PTGS1 (0.60) PTGS1PTGS2XDHMAPTGAA
Cordiachromene A SCHEMBL16666262 0.68 PTGS1 (0.68) PTGS1PTGS2XDHMAPTGAA
Cordiachromene A SCHEMBL9356402 0.68 PTGS1 (0.68) PTGS1PTGS2XDHMAPTGAA
Cordiachromene A SCHEMBL16666288 0.68 PTGS1 (0.68) PTGS1PTGS2XDHMAPTGAA
SCHEMBL31254058 0.66 PTPN1 (0.52) PTGS1PTGS2XDHMAPTTDP1

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 1253/4885XDH 2207/4885
US-10376476-B2 Panicein compounds, compositions and uses thereof ABCC1, ABCB1, SLC47A1 PTGS1 871/4885PTGS2 1253/4885XDH 2207/4885
US-20180200200-A1 PANICEIN COMPOUNDS, COMPOSITIONS AND USES THEREOF ABCC1, ABCB1, SLC47A1 PTGS1 871/4885PTGS2 1253/4885XDH 2207/4885

“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.

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