SCHEMBL13764173

SCHEMBL13764173

C=CCCC(OC)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 3/20 0.37
MAPT P10636 3/20 0.37
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
PLA2G2C Q5R387 1/20 0.36
RECQL P46063 1/20 0.34
TSHR P16473 1/20 0.33
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ABCC4 O15439 1/20 0.30
FAAH O00519 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL27009146 0.83 CYP2D6 (0.31) CYP2D6CYP2C19
SCHEMBL26599 0.82 LMNA (0.39) ALDH1A1LMNAUSP2MAPTCYP3A4
SCHEMBL12141363 0.80 TSHR (0.34) ALDH1A1LMNAUSP2MAPTCYP3A4
SCHEMBL17173449 0.75 ALDH1A1 (0.31) ALDH1A1LMNAUSP2MAPTCYP3A4
SCHEMBL3332532 0.75
SCHEMBL29268375 0.74
SCHEMBL13038544 0.74 USP2 (0.37) ALDH1A1LMNAUSP2MAPTCYP3A4
SCHEMBL16155371 0.74 CYP2D6 (0.38) ALDH1A1LMNAUSP2MAPTCYP3A4
SCHEMBL14066220 0.74 ALDH1A1 (0.35) ALDH1A1LMNAUSP2MAPTCYP3A4
SCHEMBL1784171 0.73 CA1 (0.36) ALDH1A1TSHRTDP1

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-7557176-B2 Polyhydroxyalkanoic acid having vinyl, ester, carboxyl or sulfonic acid group and producing method therefor CANON KABUSHIKI KAISHA (JP) 2009-07-07 US disclosed
US-20080064828-A1 Polyhydroxyalkanoic Acid Having Vinyl, Ester, Carboxyl or Sulfonic Acid Group and Producing Method Therefor CANON KABUSHIKI KAISHA (JP) 2008-03-13 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-20080064828-A1 Polyhydroxyalkanoic Acid Having Vinyl, Ester, Carboxyl or Sulfonic Acid Group and Producing Method Therefor FAR1, ACSL4, ACAD11 ALDH1A1 224/4885LMNA 4589/4885USP2 780/4885

“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.