SCHEMBL13040299

SCHEMBL13040299

O=C1CCCCn2cc(nn2)COCC2CCCCN12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.32
ITGB1 P05556 1/20 0.31
ITGA2 P17301 1/20 0.31
VNN1 O95497 1/20 0.31
AR P10275 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL13040294 0.98 LTA4H (0.32) LTA4HITGB1ITGA2VNN1
SCHEMBL13040295 0.98 PAX8 (0.31) LTA4HITGB1ITGA2ARMEN1
SCHEMBL13040293 0.94 BTK (0.33) VNN1
SCHEMBL13040276 0.74 KRAS (0.41)
SCHEMBL31207649 0.73 NOTUM (0.36) ARMEN1NPC1RAB9AKMT2A
SCHEMBL13040302 0.73 BRD4 (0.38) ITGB1ITGA2
SCHEMBL13040274 0.71 KRAS (0.39)
SCHEMBL13040273 0.71 KRAS (0.42)
SCHEMBL12443431 0.70 HSD11B1 (0.35) LTA4HARMEN1NPC1RAB9A
SCHEMBL25907140 0.69 LTA4H (0.38) LTA4HVNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280238-A1 INTRAMOLECULAR AZIDE-ALKYNE CYCLOADDITION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-11-04 US disclosed
US-20100280238-A1 INTRAMOLECULAR AZIDE-ALKYNE CYCLOADDITION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-11-04 US disclosed
WO-2010127088-A2 INTRAMOLECULAR AZIDE-ALKYNE CYCLOADDITION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-11-04 WO 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-20100280238-A1 INTRAMOLECULAR AZIDE-ALKYNE CYCLOADDITION APOBEC3G, HYOU1, HTR3C LTA4H 642/4885ITGB1 2698/4885ITGA2 3553/4885

“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.