SCHEMBL6340545

SCHEMBL6340545

O=C1NC(=O)c2c1ccc1c2CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.79
PPOX P50336 1/20 0.39
DAPK3 O43293 1/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCH P24723 1/20 0.38
PRKCI P41743 1/20 0.38
MAP3K9 P80192 1/20 0.38
PRKCE Q02156 1/20 0.38
MAP3K10 Q02779 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCZ Q05513 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKD1 Q15139 1/20 0.38
MAP3K11 Q16584 1/20 0.38
GSK3B P49841 1/20 0.38
TDP2 O95551 7/20 0.38
CES1 P23141 2/20 0.37

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
SCHEMBL17017132 0.89 PARP1 (1.00) PARP1PPOXGSK3BTDP2CES1
SCHEMBL11763384 0.79 PARP1 (0.60) PARP1PPOXTDP2CES1KDM4E
SCHEMBL11880591 0.72 PARP1 (0.48) PARP1PPOXGSK3BTDP2KDM4E
SCHEMBL6553368 0.72 PARP1 (0.67) PARP1PPOXGSK3BTDP2CES1
SCHEMBL29762371 0.70 PARP1 (0.50) PARP1PPOXTDP2KDM4EALDH1A1
SCHEMBL10607840 0.68 PARP1 (0.53) PARP1PPOXGSK3BTDP2CHEK1
SCHEMBL1756151 0.67 PARP1 (0.47) PARP1PPOXGSK3BCHEK1WEE1
SCHEMBL8592676 0.67 PARP1 (0.53) PARP1PPOXGSK3BCDK4CCND1
SCHEMBL4283299 0.67 ALDH1A1 (0.47) CES1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4608122 0.65 PARP1 (0.39) PARP1CES1KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US claimed
CN-109912937-A A kind of new-energy automobile power battery insulating heat-conduction material and preparation method thereof 杨记周 2019-06-21 CN disclosed
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US disclosed
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US disclosed
EP-0814121-B1 Low density, fire retardant one-part epoxy composition MINNESOTA MINING & MFG (US) 2001-09-26 EP disclosed
EP-0814121-A1 Low density, fire retardant one-part epoxy composition MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-12-29 EP disclosed
US-5019605-A Hardener, smoke suppressant, filler MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-05-28 US disclosed
EP-0388037-A2 Low density self-extinguishing epoxide composition MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-09-19 EP 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-20050080260-A1 Preparation of prodrugs for selective drug delivery APEH, PAH, ALAD PARP1 3179/4885PPOX 22/4885DAPK3 3140/4885

“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.