SCHEMBL17742900

SCHEMBL17742900

CC(C)CCC(=O)NCCCCCCN=[N+]=[N-]

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ CASP2 P42575 1/20 0.41
▸ NAAA Q02083 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HPSE Q9Y251 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALB P02768 1/20 0.35
▸ FAAH O00519 1/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL19560628 0.94 ALDH1A1 (0.44) ALDH1A1CASP2NAAANAMPTLMNA
SCHEMBL16300423 0.88 CASP2 (0.41) ALDH1A1CASP2NAAANAMPTLMNA
SCHEMBL19663172 0.84 LMNA (0.49) ALDH1A1NAMPTLMNAPKMCNR2
SCHEMBL21754688 0.81 CNR2 (0.36) ALDH1A1CASP2NAAANAMPTLMNA
SCHEMBL17122488 0.81 CASP2 (0.56) CASP2NAAAFAAHEPHX1
SCHEMBL22851659 0.80 ALDH1A1 (0.53) ALDH1A1CASP2NAAANAMPTLMNA
SCHEMBL18768756 0.80 ALDH1A1 (0.53) ALDH1A1CASP2NAAANAMPTLMNA
SCHEMBL16689691 0.80 ALDH1A1 (0.53) ALDH1A1CASP2NAAANAMPTLMNA
SCHEMBL17881973 0.80 CASP2 (0.42) CASP2NAAAHPSEFAAH
SCHEMBL29552353 0.80 PRMT1 (0.43) ALDH1A1CASP2NAAALMNAHPSE

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-20170247504-A1 DIBENZOSILOLE MONOMERS AND POLYMERS AND METHODS FOR THEIR PREPARATION AND USE Life Technologies Corporation 2017-08-31 — — US disclosed
WO-2016073052-A1 DIBENZOSILOLE MONOMERS AND POLYMERS AND METHODS FOR THEIR PREPARATION AND USE Life Technologies Corporation (US) 2016-05-12 — — 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-20170247504-A1 DIBENZOSILOLE MONOMERS AND POLYMERS AND METHODS FOR THEIR PREPARATION AND USE DDOST, DDT, DAD1 ALDH1A1 2442/4885CASP2 4631/4885NAAA 472/4885

“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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