SCHEMBL12417086

SCHEMBL12417086

COc1ccc(OC)c(/C=N/c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.76
▸ CA2 P00918 5/20 0.76
▸ KDM4E B2RXH2 4/20 0.56
▸ PKM P14618 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.55
▸ ABCG2 Q9UNQ0 1/20 0.53
▸ CA12 O43570 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ CA6 P23280 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ TPMT P51580 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ JUN P05412 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ LMNA P02545 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL11834607 0.79 CA2 (0.67) CA1CA2KDM4EPKMCA12
SCHEMBL12416599 0.79 CA2 (0.67) CA1CA2KDM4EPKMCA12
SCHEMBL11842667 0.79 CA2 (0.67) CA1CA2KDM4EPKMCA12
SCHEMBL18719808 0.78 CA2 (0.60) CA1CA2KDM4EALDH1A1CA12
SCHEMBL12416919 0.77 CA2 (0.77) CA1CA2CA12CA7CA9
SCHEMBL17826053 0.77 MAPT (0.69) CA1CA2KDM4EPKMALDH1A1
SCHEMBL17810910 0.77 MAPT (0.69) CA1CA2KDM4EPKMALDH1A1
SCHEMBL17810912 0.77 MAPT (0.69) CA1CA2KDM4EPKMALDH1A1
SCHEMBL12416758 0.74 CA1 (0.57) CA1CA2KDM4EPKMALDH1A1
SCHEMBL12416959 0.73 ACHE (0.55) CA1CA2KDM4EALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 — — US disclosed
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 — — US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 — — US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 — — US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 — — US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 — — 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 (2 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-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 CA1 1082/4885CA2 2958/4885KDM4E 3451/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 CA1 1082/4885CA2 2958/4885KDM4E 3451/4885

“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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