SCHEMBL3995658

SCHEMBL3995658

CCCCC(C)CCCCC(=O)OC1CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.61
▸ MAPT P10636 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LMNA P02545 2/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ METAP1 P53582 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ DGKA P23743 1/20 0.37
▸ PRKCA P17252 5/20 0.37

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
SCHEMBL16380604 0.85 NAAA (0.68) NAAAMAPTSMN1; SMN2LMNATSHR
SCHEMBL15028306 0.85 NAAA (0.68) NAAAMAPTSMN1; SMN2LMNATSHR
SCHEMBL4978268 0.84 NAAA (0.82) NAAASMN1; SMN2LMNADGKAPRKCA
SCHEMBL16380613 0.84 NAAA (0.69) NAAASMN1; SMN2LMNATSHRMETAP1
SCHEMBL16380552 0.84 NAAA (0.69) NAAASMN1; SMN2LMNATSHRMETAP1
SCHEMBL15268267 0.83 NAAA (0.49) NAAAMAPTSMN1; SMN2LMNATSHR
SCHEMBL30915389 0.83 NAAA (0.86) NAAAMAPTSMN1; SMN2LMNADGKA
SCHEMBL28454438 0.83 NAAA (0.86) NAAAMAPTSMN1; SMN2LMNADGKA
SCHEMBL16046795 0.83 NAAA (0.86) NAAAMAPTSMN1; SMN2LMNADGKA
SCHEMBL27913647 0.83 NAAA (0.86) NAAAMAPTSMN1; SMN2LMNADGKA

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-7517909-B2 Amino acids with affinity for the α2δ-protein PFIZER INC (US) 2009-04-14 — — US disclosed
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein BARTA NANCY S 2006-07-13 — — 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-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, SCN1A NAAA 1406/4885MAPT 646/4885SMN1; SMN2 1414/4885

“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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