SCHEMBL6893821

SCHEMBL6893821

[CH2]OC(=O)OC(CCCC)CCCC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
CTSK P43235 3/20 0.41
CA2 P00918 6/20 0.38
CA1 P00915 3/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 1/20 0.36
TSHR P16473 2/20 0.36
FDPS P14324 1/20 0.34
LMNA P02545 3/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL6895132 0.87 CTSK (0.40) PRKCAPRKCDCTSKMAPK1MAPT
SCHEMBL7645703 0.87 CTSK (0.46) PRKCAPRKCDCTSKCA2CA1
SCHEMBL6278113 0.83 CA2 (0.45) CTSKCA2CA1MAPK1MAPT
SCHEMBL2339946 0.83 CTSK (0.51) PRKCAPRKCDCTSKCA2CA1
SCHEMBL7678679 0.83 CTSK (0.43) PRKCAPRKCDCTSKCA2CA1
SCHEMBL5513478 0.82 FAAH (0.45) CTSKCA2CA1MAPK1LMNA
SCHEMBL7648142 0.81 CA2 (0.48) CA2MAPK1MAPTLMNAALDH1A1
SCHEMBL7645781 0.81 CA2 (0.48) CA2MAPK1MAPTLMNAALDH1A1
SCHEMBL7645775 0.80 GPR84 (0.45) CA2CA1MAPK1MAPTFDPS
SCHEMBL6893118 0.79 ALDH1A1 (0.48) PRKCAPRKCDCTSKCA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed
US-20030149016-A1 Novel carbapenem derivatives KANO YUKO (JP) 2003-08-07 US disclosed
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 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 (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-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 PRKCA 1336/4885PRKCD 536/4885CTSK 1389/4885

“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.