SCHEMBL13693162

SCHEMBL13693162

CCCCOCCCNCCC(C=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 7/20 0.34
ALDH1A1 P00352 3/20 0.34
CTSK P43235 2/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP14 P50281 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL9149193 0.76 TSHR (0.55) MAPTHSD17B10TSHRALDH1A1CYP3A4
SCHEMBL5933590 0.74 TSHR (0.52) MAPTHSD17B10TSHRALDH1A1CYP3A4
SCHEMBL5932563 0.74 TSHR (0.52) MAPTHSD17B10TSHRALDH1A1CYP3A4
SCHEMBL5932494 0.74 TSHR (0.52) MAPTHSD17B10TSHRALDH1A1CYP3A4
SCHEMBL15510573 0.72 TSHR (0.50) MAPTHSD17B10TSHRALDH1A1CYP3A4
SCHEMBL9153194 0.70 TSHR (0.60) MAPTTSHRALDH1A1
SCHEMBL5932248 0.70 TSHR (0.60) MAPTTSHRALDH1A1CYP3A4
SCHEMBL10401277 0.70 TSHR (0.60) MAPTTSHRALDH1A1CYP3A4
SCHEMBL11895181 0.68 TSHR (0.57) MAPTTSHRALDH1A1CYP3A4
SCHEMBL5932636 0.68 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 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-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S MAPT 2278/4885HSD17B10 173/4885TSHR 3252/4885

“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.