SCHEMBL4639848

SCHEMBL4639848

CCCOC(=O)CC(=O)CBr

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.72
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 4/20 0.43
TRPA1 O75762 2/20 0.43
CYP2C19 P33261 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAAA Q02083 1/20 0.38
DGKA P23743 1/20 0.38
HCAR2 Q8TDS4 1/20 0.36
LMNA P02545 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL7100995 0.88 FAAH (0.86) FAAHCNR1CNR2ALDH1A1TRPA1
SCHEMBL8717357 0.86 FAAH (0.53) FAAHALDH1A1MGAMGAASI
SCHEMBL7103980 0.86 FAAH (0.96) FAAHCNR1CNR2NAAADGKA
SCHEMBL11763013 0.84 FAAH (1.00) FAAHCNR1CNR2NAAADGKA
SCHEMBL4640187 0.84 FAAH (1.00) FAAHCNR1CNR2NAAADGKA
SCHEMBL97404 0.82 ALDH1A1 (0.65) FAAHCNR1CNR2ALDH1A1TRPA1
SCHEMBL6669031 0.82 FAAH (0.50) FAAHALDH1A1MGAMGAASI
SCHEMBL140522 0.81
SCHEMBL240282 0.81 MGAM (0.60) FAAHALDH1A1MGAMGAASI
SCHEMBL6831476 0.80 FAAH (0.48) FAAHALDH1A1MGAMGAASI

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110577940-B Kluyveromyces marxianus aldehyde ketone reductase KmAKR mutant and application thereof 浙江工业大学 2021-06-08 CN claimed
WO-2021057014-A1 KLUYVEROMYCES MARXIANUS ALDO-KETO REDUCTASE KMAKR MUTANT AND APPLICATION THEREOF 浙江工业大学 2021-04-01 WO claimed
CN-110577940-A Kluyveromyces marxianus aldehyde ketone reductase KmAKR mutant and application thereof 浙江工业大学 2019-12-17 CN claimed
CN-110577940-B Kluyveromyces marxianus aldehyde ketone reductase KmAKR mutant and application thereof 浙江工业大学 2021-06-08 CN disclosed
WO-2021057014-A1 KLUYVEROMYCES MARXIANUS ALDO-KETO REDUCTASE KMAKR MUTANT AND APPLICATION THEREOF 浙江工业大学 2021-04-01 WO disclosed
CN-110577940-A Kluyveromyces marxianus aldehyde ketone reductase KmAKR mutant and application thereof 浙江工业大学 2019-12-17 CN disclosed
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-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-0999202-B1 Process for producing 2-alkylidene-4-bromoacetoacetic acid ester SUMITOMO CHEMICAL CO (JP) 2003-03-19 EP disclosed
US-6469200-B1 A PROCESS WHICH CAN PROVIDE THE DESIRED 2-ALKYLIDENE-4-BROMOACETOACETIC ACID ESTER BY USING, AS A STARTING MATERIAL, A 4-BROMOACETOACETIC ACID ESTER WHICH CAN BE READILY DERIVED FROM AN ACETOACETIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-10-22 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-0999202-A1 Process for producing 2-alkylidene-4-bromoacetoacetic acid ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-10 EP disclosed
US-4039570-A DISPERSING AGENTS LONZA LTD. (CH) 1977-08-02 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 (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-20030134402-A1 Process for producing optically active 4-halo-3-hydroxybutanoate RNGTT, HMBS, POLB FAAH 3017/4885CNR1 4414/4885CNR2 4324/4885
US-20040091902-A1 Modified reductase and its gene BLVRB, DHFR, RRM2 FAAH 3207/4885CNR1 3836/4885CNR2 4526/4885

“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.