SCHEMBL2774396

SCHEMBL2774396

COC(=O)[C@@H]1CCCN1CCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.67
ALDH1A1 P00352 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
FKBP1A P62942 1/20 0.53
HRH3 Q9Y5N1 3/20 0.50
DRD2 P14416 1/20 0.50
ACE P12821 1/20 0.48
HTR1A P08908 1/20 0.47

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
SCHEMBL2770247 1.00 LTA4H (0.67) LTA4HALDH1A1SMN1; SMN2FKBP1AHRH3
SCHEMBL2770248 1.00 LTA4H (0.67) LTA4HALDH1A1SMN1; SMN2FKBP1AHRH3
SCHEMBL2772367 0.92 LTA4H (0.57) LTA4HALDH1A1SMN1; SMN2FKBP1A
SCHEMBL2772130 0.92 LTA4H (0.57) LTA4HALDH1A1SMN1; SMN2FKBP1A
SCHEMBL2772128 0.92 LTA4H (0.57) LTA4HALDH1A1SMN1; SMN2FKBP1A
SCHEMBL10507857 0.90 LTA4H (0.62) LTA4HALDH1A1SMN1; SMN2FKBP1A
SCHEMBL952722 0.86 LTA4H (0.63) LTA4HALDH1A1SMN1; SMN2FKBP1AACE
SCHEMBL952721 0.86 LTA4H (0.63) LTA4HALDH1A1SMN1; SMN2FKBP1AACE
SCHEMBL19465330 0.86 LTA4H (0.63) LTA4HALDH1A1SMN1; SMN2FKBP1AACE
SCHEMBL1116547 0.84 ALDH1A1 (0.56) LTA4HALDH1A1SMN1; SMN2HRH3ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1057894-B1 Esterase genes and uses of the same SUMITOMO CHEMICAL CO (JP) 2010-04-28 EP disclosed
US-6828129-B2 Nucleotide sequences coding polypeptide for use as tool in genetic engineering SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-12-07 US disclosed
US-6812008-B2 NUCLEOTIDE SEQUENCES CODING POLYPEPTIDE FOR USE IN THE GENERATION OF S-N-BENZYLAZETIDINE-2-CARBOXYLIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-02 US disclosed
US-6537790-B1 Isolated protein of given sequence which can produce N-substituted cyclic imino acids by hydrolization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-25 US disclosed
US-20020173013-A1 Esterace genes and uses of the same SUMITOMO CHEMICAL COMPANY, LIMITED 2002-11-21 US disclosed
US-20020164727-A1 Nucleotide sequences coding polypeptide for use as tool in genetic engineering SUMITOMO CHEMICAL COMPANY, LIMITED 2002-11-07 US disclosed
EP-1057894-A2 Esterase genes and uses of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-12-06 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 (2 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-20020164727-A1 Nucleotide sequences coding polypeptide for use as tool in genetic engineering IMPDH2, INHA, IMPDH1 LTA4H 3520/4885ALDH1A1 2545/4885SMN1; SMN2 3197/4885
US-20020173013-A1 Esterace genes and uses of the same ACOT7, COASY, IMPA1 LTA4H 2045/4885ALDH1A1 707/4885SMN1; SMN2 4145/4885

“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.