SCHEMBL2769832

SCHEMBL2769832

CCC1(C(=O)O)CCN1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.44
CYP3A4 P08684 2/20 0.42
EPHX2 P34913 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
OPRM1 P35372 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
ELANE P08246 1/20 0.41
HSD11B1 P28845 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
OPRL1 P41146 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL30067766 0.91 CYP2D6 (0.44) CYP2D6CYP3A4ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4275993 0.81 SIGMAR1 (0.45) CYP2D6CYP3A4SIGMAR1ALDH1A1LMNA
SCHEMBL30695258 0.81 ELANE (0.44) CYP2D6CYP3A4CYP2C9CYP2C19ELANE
SCHEMBL8524238 0.81 CD274 (0.46) CYP2D6CYP3A4EPHX2CYP2C9CYP2C19
SCHEMBL8973187 0.78 GRM6 (0.40) OPRM1SIGMAR1ELANEALDH1A1MEN1
SCHEMBL8972846 0.78 ELANE (0.42) CYP2D6EPHX2CYP2C9CYP2C19ELANE
SCHEMBL24998568 0.77 CYP2D6 (0.46) CYP2D6CYP3A4ALDH1A1TSHR
SCHEMBL9015320 0.77
SCHEMBL9015318 0.77
SCHEMBL8376385 0.76 LMNA (0.39) CYP2D6EPHX2CYP2C19ELANEALDH1A1

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 8 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 claimed
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 CYP2D6 2788/4885CYP3A4 4456/4885EPHX2 816/4885
US-20020173013-A1 Esterace genes and uses of the same ACOT7, COASY, IMPA1 CYP2D6 2207/4885CYP3A4 2758/4885EPHX2 125/4885

“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.