SCHEMBL12416631

SCHEMBL12416631

CCCCCCCCCCOc1ccc(/C=N/c2ccc(CCCC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CYP3A4 P08684 3/20 0.49
▸ CYP2C9 P11712 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ USP2 O75604 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ SLCO1B3 Q9NPD5 1/20 0.49
▸ SLCO1B1 Q9Y6L6 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP19A1 P11511 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ CYP2D6 P10635 2/20 0.48
▸ NR5A1 Q13285 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45

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
SCHEMBL2449342 1.00 GAA (0.50) GAAALDH1A1LMNACYP3A4CYP2C9
SCHEMBL2449341 1.00 GAA (0.50) GAAALDH1A1LMNACYP3A4CYP2C9
SCHEMBL10623963 1.00 GAA (0.50) GAAALDH1A1LMNACYP3A4CYP2C9
SCHEMBL12416646 1.00 GAA (0.50) GAAALDH1A1LMNACYP3A4CYP2C9
SCHEMBL12417147 1.00 GAA (0.50) GAAALDH1A1LMNACYP3A4CYP2C9
SCHEMBL12416632 1.00 GAA (0.50) GAAALDH1A1LMNACYP3A4CYP2C9
SCHEMBL11767244 1.00 GAA (0.50) GAAALDH1A1LMNACYP3A4CYP2C9
SCHEMBL8810247 0.99 GAA (0.51) GAAALDH1A1LMNACYP3A4CYP2C9
SCHEMBL3625844 0.97 ALDH1A1 (0.52) GAAALDH1A1LMNACYP3A4CYP2C9
SCHEMBL12416629 0.97 ALDH1A1 (0.52) GAAALDH1A1LMNACYP3A4CYP2C9

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 GAA 4408/4885ALDH1A1 3768/4885LMNA 947/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 GAA 4408/4885ALDH1A1 3768/4885LMNA 947/4885

“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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