SCHEMBL3690735

SCHEMBL3690735

C1CNCCNCCNCCN1.C1CNCCNCCNCCN1.CC(C)(C)OC(=O)CN1CCN(CC(=O)ON2C(=O)CCC2=O)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLA2G10 O15496 2/20 0.37
▸ PLA2G5 P39877 2/20 0.37
▸ SIGMAR1 Q99720 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CHRM3 P20309 2/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ HTR4 Q13639 1/20 0.32
▸ PARP1 P09874 1/20 0.31
▸ CCNT1 O60563 2/20 0.31
▸ CDK9 P50750 2/20 0.31
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ CHRM5 P08912 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
SCHEMBL3700587 0.93 PLA2G10 (0.38) PLA2G10PLA2G5KDM4EALDH1A1CHRM3
SCHEMBL30069168 0.88 PLA2G10 (0.35) PLA2G10PLA2G5KDM4EALDH1A1CHRM3
SCHEMBL9925280 0.87 PLA2G10 (0.34) PLA2G10PLA2G5KDM4EALDH1A1CHRM3
SCHEMBL29673006 0.84 CHRM5 (0.38) SIGMAR1CHRM3DDB1CRBNCHRM5
SCHEMBL1241407 0.83 CHRM5 (0.39) SIGMAR1CHRM3DDB1CRBNCHRM5
SCHEMBL18022129 0.83 PLA2G10 (0.34) PLA2G10PLA2G5CHRM3CHRM2CHRM4
SCHEMBL4771744 0.81 SIGMAR1 (0.47) PLA2G10PLA2G5SIGMAR1KDM4EALDH1A1
SCHEMBL12231841 0.81 CHRM5 (0.34) SIGMAR1CHRM3CHRM5
SCHEMBL1149470 0.80 SIGMAR1 (0.49) PLA2G10PLA2G5SIGMAR1KDM4EALDH1A1
SCHEMBL583320 0.80 SIGMAR1 (0.49) PLA2G10PLA2G5SIGMAR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234450-A1 Molecular targeting agents UNIVERSITY OF IOWA RESEARCH FOUNDATION 2010-09-16 — — 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-20100234450-A1 Molecular targeting agents CD2BP2, CD47, ANXA6 PLA2G10 4240/4885PLA2G5 3725/4885SIGMAR1 2425/4885

“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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