SCHEMBL5036891

SCHEMBL5036891

NCCCOc1cc(OCCCN)cc(C(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.46
▸ PARP10 Q53GL7 3/20 0.44
▸ PRSS1 P07477 7/20 0.42
▸ F2 P00734 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ PRSS3 P35030 1/20 0.42
▸ ST14 Q9Y5Y6 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ CSF3R Q99062 1/20 0.38
▸ PARP1 P09874 1/20 0.38

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
SCHEMBL4368371 0.90 PARP10 (0.46) PLA2G2APARP10PRSS1F2PRSS2
SCHEMBL25724576 0.86 PARP10 (0.46) PLA2G2APARP10PRSS1F2PRSS2
Hexanoate SCHEMBL29036122 0.84 PLA2G2A (0.55) PLA2G2ATSHRCSF3R
SCHEMBL17414620 0.83 PLA2G2A (0.62) PLA2G2APARP10TSHR
SCHEMBL9448432 0.82 PRSS1 (0.58) PARP10PRSS1F2PRSS2PRSS3
SCHEMBL9448533 0.81 SIRT2 (0.48) —
SCHEMBL16447478 0.81 TAAR1 (0.44) PLA2G2A
SCHEMBL6836738 0.81 PLA2G2A (0.54) PLA2G2APARP10PRSS1F2PRSS2
SCHEMBL27987025 0.81 PARP10 (0.68) PARP10PRSS1F2ST14PARP1
SCHEMBL5086980 0.80 PLA2G2A (0.73) PLA2G2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080213187-A1 NOVEL CASCADE POLYMER COMPLEXES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM EPIX PHARMACEUTICALS, INC. 2008-09-04 — — US claimed
US-20080213187-A1 NOVEL CASCADE POLYMER COMPLEXES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM EPIX PHARMACEUTICALS, INC. 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 (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-20080213187-A1 NOVEL CASCADE POLYMER COMPLEXES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PGF, F13A1, F11 PLA2G2A 4733/4885PARP10 120/4885PRSS1 2296/4885

“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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