SCHEMBL13347198

SCHEMBL13347198

CCOC(=O)/C=C/c1ccc2[nH]cc(CCc3ccccc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.49
▸ ALOX5 P09917 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ TTR P02766 5/20 0.47
▸ CYP3A4 P08684 4/20 0.47
▸ AKR1B10 O60218 4/20 0.47
▸ AKR1B1 P15121 4/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ ALOX12 P18054 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47

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
SCHEMBL13347303 0.94 CYP3A4 (0.51) TRPM8ALOX5NPC1CASP3RAB9A
SCHEMBL13347146 0.89 KDM4E (0.52) TTRCYP3A4CYP1A2KDM4EALDH1A1
SCHEMBL3127872 0.85 PLA2G4A (0.57) CYP3A4CYP1A2KDM4EALDH1A1LMNA
SCHEMBL3127861 0.85 PLA2G4A (0.57) CYP3A4CYP1A2KDM4EALDH1A1LMNA
SCHEMBL3126855 0.79 SMN1; SMN2 (0.59) TRPM8CYP3A4CYP1A2MAPK1SMN1; SMN2
SCHEMBL3120694 0.79 PLA2G4A (0.49) CYP3A4CYP1A2KDM4ELMNATP53
SCHEMBL3120684 0.79 PLA2G4A (0.49) CYP3A4CYP1A2KDM4ELMNATP53
SCHEMBL7714738 0.77 MEN1 (0.47) TTRCYP3A4AKR1B10AKR1B1CYP1A2
SCHEMBL27371971 0.75 TTR (0.62) ALOX5NPC1CASP3RAB9ASENP8
SCHEMBL3126985 0.73 SMN1; SMN2 (0.63) TRPM8ALOX5CYP3A4CYP1A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293781-B2 Indole derivatives having cPLA2 inhibiting activity and applications and production methods of the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-23 — — US disclosed
US-20100113777-A1 INDOLE DERIVATIVES HAVING cPLA2 INHIBITING ACTIVITY AND APPLICATIONS AND PRODUCTION METHODS OF THE SAME ASUBIO PHARMA CO., LTD. (JP) 2010-05-06 — — 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-20100113777-A1 INDOLE DERIVATIVES HAVING cPLA2 INHIBITING ACTIVITY AND APPLICATIONS AND PRODUCTION METHODS OF THE SAME PLA2G4A, PLA2G2E, PLA2G6 TRPM8 1123/4885ALOX5 27/4885NPC1 1359/4885

“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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