SCHEMBL19609971

SCHEMBL19609971

CN/C(C)=C\C(=O)N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ LTB4R Q15722 1/20 0.37
▸ LTB4R2 Q9NPC1 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL13212911 0.79 ALDH1A1 (0.44) ALDH1A1LTB4RLTB4R2MEN1KMT2A
SCHEMBL22825659 0.76 LMNA (0.42) ALDH1A1LTB4RLTB4R2MEN1KMT2A
SCHEMBL17845054 0.74 TDP1 (0.44) ALDH1A1MEN1KMT2ANPC1
SCHEMBL17845055 0.74 TDP1 (0.44) ALDH1A1MEN1KMT2ANPC1
SCHEMBL18603087 0.74 LTB4R (0.40) ALDH1A1LTB4RLTB4R2MEN1KMT2A
SCHEMBL29842192 0.72 LMNA (0.42) ALDH1A1LTB4RLTB4R2POLBMEN1
SCHEMBL21004727 0.71 ALDH1A1 (0.37) ALDH1A1LTB4RLTB4R2MEN1KMT2A
SCHEMBL6068855 0.69 MAPT (0.48) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL13078788 0.69 POLB (0.75) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL761977 0.69 POLB (0.75) ALDH1A1POLBMEN1KMT2ASMN1; SMN2

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-20170327625-A1 COMPOSITIONS COMPRISING A POLYMERIC NETWORK ECOLE SUPÉRIEURE DE PHYSIQUE ET DE CHIMIE INDUSTRIELLES DE LA VILLE DE PARIS (FR) 2017-11-16 — — 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-20170327625-A1 COMPOSITIONS COMPRISING A POLYMERIC NETWORK CHRNA5, CHRNA1, CHRM1 ALDH1A1 2657/4885LTB4R 705/4885LTB4R2 552/4885

“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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