SCHEMBL4640187

SCHEMBL4640187

CCCCCCCCOC(=O)CC(=O)CBr

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 1.00
NAAA Q02083 1/20 0.60
CNR1 P21554 1/20 0.57
CNR2 P34972 1/20 0.57
HTR2C P28335 1/20 0.53
EPHX1 P07099 1/20 0.52
RAD52 P43351 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
DGKA P23743 1/20 0.50
ACHE P22303 5/20 0.46
TSHR P16473 2/20 0.46

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
SCHEMBL11763013 1.00 FAAH (1.00) FAAHNAAACNR1CNR2HTR2C
SCHEMBL7103980 0.98 FAAH (0.96) FAAHNAAACNR1CNR2HTR2C
SCHEMBL7100995 0.92 FAAH (0.86) FAAHNAAACNR1CNR2HTR2C
SCHEMBL9676495 0.88 FAAH (0.79) FAAHNAAAHTR2CEPHX1RAD52
SCHEMBL10525217 0.88 FAAH (0.79) FAAHNAAAHTR2CEPHX1RAD52
SCHEMBL28117615 0.86 FAAH (0.75) FAAHNAAAHTR2CEPHX1RAD52
SCHEMBL10901480 0.85 FAAH (0.73) FAAHNAAAHTR2CEPHX1RAD52
SCHEMBL8602516 0.85 FAAH (0.73) FAAHNAAAHTR2CEPHX1RAD52
SCHEMBL10604360 0.85 FAAH (0.73) FAAHNAAAHTR2CEPHX1RAD52
SCHEMBL10604950 0.85 FAAH (0.73) FAAHNAAAHTR2CEPHX1RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1378566-B1 Modified reductase from Penicillium citrinum and its encoding gene SUMITOMO CHEMICAL CO (JP) 2008-08-06 EP disclosed
EP-1213354-B1 Process for producing optically active 4-halo-3-hydroxybutanoate SUMITOMO CHEMICAL CO (JP) 2007-05-30 EP disclosed
EP-1386961-B1 Modified reductase and its gene and use thereof SUMITOMO CHEMICAL CO (JP) 2007-03-21 EP disclosed
US-7163814-B2 Modified reductase and its gene, and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-01-16 US disclosed
US-7135318-B2 Modified reductase and its gene SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-11-14 US disclosed
US-20050191738-A1 Modified reductase and its gene, and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2005-09-01 US disclosed
US-6884607-B2 Process for producing optically active 4-halo-3-hydroxybutanoate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-04-26 US disclosed
US-20050019816-A1 Process for producing optically active-4-halo-3-hydroxybutanoate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-27 US disclosed
EP-1201647-B1 Process for producing 4-cyano-4oxobutanoate and 4-cyano-3-hydroxybutanoate SUMITOMO CHEMICAL CO (JP) 2004-09-22 EP disclosed
US-20040091902-A1 Modified reductase and its gene SUMITOMO CHEMICAL COMPANY, LIMITED 2004-05-13 US disclosed
EP-1386961-A2 Modified reductase and its gene and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-02-04 EP disclosed
EP-1378566-A2 Modified reductase from Penicillium citrinum and its encoding gene SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-01-07 EP disclosed
US-20030134402-A1 Process for producing optically active 4-halo-3-hydroxybutanoate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-17 US disclosed
EP-1213354-A2 Process for producing optically active 4-halo-3-hydroxybutanoate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-12 EP disclosed
EP-1201647-A2 Process for producing 4-cyano-4oxobutanoate and 4-cyano-3-hydroxybutanoate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-05-02 EP disclosed
US-4933282-A TREATING GAMMA-HALOACETONACETIC ACID ESTER WITH MICROORGANISM UNDER ANAEROBIC CONDITIONS NIPPON GOHSEI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-06-12 US disclosed
US-4710468-A FROM OPTICALLY ACTIVE SUBSTITUTED HYDROXYBUTYRIC ACID DERIVATIVES WITH OXIDOREDUCTASE SIGMA-TAU INDUSTRIE PHARMACEUTICHE RIUNITE S.P.A. (IT) 1987-12-01 US disclosed
US-4642290-A OXIDOREDUCTASE ENZYMES FERMENTING 4-SUBSTITUTED-ACETOACETIC ESTERS OR AMIDES SIH CHARLES J (US) 1987-02-10 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 (4 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-20030134402-A1 Process for producing optically active 4-halo-3-hydroxybutanoate RNGTT, HMBS, POLB FAAH 3017/4885NAAA 1165/4885CNR1 4414/4885
US-20040091902-A1 Modified reductase and its gene BLVRB, DHFR, RRM2 FAAH 3207/4885NAAA 1917/4885CNR1 3836/4885
US-20050191738-A1 Modified reductase and its gene, and use thereof BLVRB, UPF1, GRHPR FAAH 3202/4885NAAA 3436/4885CNR1 4035/4885
US-20050019816-A1 Process for producing optically active-4-halo-3-hydroxybutanoate RNGTT, POLB, POLL FAAH 2804/4885NAAA 1093/4885CNR1 4315/4885

“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.