SCHEMBL17218924

SCHEMBL17218924

CCCCC(=O)OC1CCCC(C#N)C1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ PRKCA P17252 5/20 0.32

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
SCHEMBL7295718 0.84 NAAA (0.60) NAAASMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL8691439 0.81 NAAA (0.79) NAAASMN1; SMN2ALDH1A1HTTPRKCA
SCHEMBL4795611 0.79 NAAA (0.61) NAAASMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL11406577 0.78 NAAA (0.53) NAAASMN1; SMN2ALDH1A1HTTPRKCA
SCHEMBL4978860 0.78 NAAA (0.86) NAAASMN1; SMN2ALDH1A1HTTPRKCA
SCHEMBL7287590 0.78 NAAA (0.51) NAAASMN1; SMN2ALDH1A1PRKCA
SCHEMBL8690525 0.76 NAAA (0.86) NAAASMN1; SMN2ALDH1A1HTT
SCHEMBL1177076 0.76 NAAA (0.86) NAAASMN1; SMN2ALDH1A1HTT
Hydrochloric Acid SCHEMBL32662564 0.76 NAAA (0.83) NAAASMN1; SMN2ALDH1A1HTTPRKCA
SCHEMBL4186140 0.75 NAAA (0.56) NAAASMN1; SMN2ALDH1A1HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2940005-B1 NITRILE COMPOUND, METHOD OF PREPARATION THEREOF AND FRAGRANCE COMPOSITION COMPRISING THE NITRILE COMPOUND KAO CORP (JP) 2017-04-05 — — EP claimed
EP-2940005-B1 NITRILE COMPOUND, METHOD OF PREPARATION THEREOF AND FRAGRANCE COMPOSITION COMPRISING THE NITRILE COMPOUND KAO CORP (JP) 2017-04-05 — — EP disclosed
US-9447362-B2 Nitrile compound KAO CORPORATION (JP) 2016-09-20 — — US disclosed
US-20150353480-A1 NITRILE COMPOUND KAO CORPORATION (JP) 2015-12-10 — — US disclosed
EP-2940005-A1 NITRILE COMPOUND Kao Corporation (JP) 2015-11-04 — — EP 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-20150353480-A1 NITRILE COMPOUND NOS1, NOS2, NOS3 NAAA 2568/4885SMN1; SMN2 1160/4885ALDH1A1 551/4885

“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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