SCHEMBL4490761

SCHEMBL4490761

CCOC(=O)OCCC1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
METAP2 P50579 1/20 0.42
EPHX1 P07099 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
SOAT1 P35610 1/20 0.40
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM2 P08172 4/20 0.39
CHRM4 P08173 4/20 0.39
CHRM5 P08912 4/20 0.39
CHRM1 P11229 4/20 0.39
CHRM3 P20309 4/20 0.39
HSD11B1 P28845 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL2349782 0.86 CYP1A2 (0.52) ALDH1A1EPHX1SMN1; SMN2CYP1A2
SCHEMBL698470 0.83 EPHX1 (0.46) ALDH1A1EPHX1SMN1; SMN2ATMHPGD
SCHEMBL695863 0.81 EPHX1 (0.41) EPHX1SMN1; SMN2CHRM2CHRM4CHRM5
SCHEMBL696982 0.81 EPHX1 (0.44) ALDH1A1EPHX1SMN1; SMN2ATMHPGD
SCHEMBL3117465 0.81 ALDH1A1 (0.52) ALDH1A1SOAT1THRBATML3MBTL1
SCHEMBL698469 0.79 EPHX1 (0.42) EPHX1SMN1; SMN2CHRM2CHRM4CHRM5
SCHEMBL16470982 0.79 SMN1; SMN2 (0.49) EPHX1SMN1; SMN2CYP1A2ATMCHRM2
SCHEMBL697686 0.79 EPHX1 (0.39) EPHX1SMN1; SMN2CHRM2CHRM4CHRM5
SCHEMBL4490756 0.79 EPHX1 (0.40) EPHX1SMN1; SMN2CYP1A2ATMCHRM2
SCHEMBL8896243 0.79 EPHX1 (0.45) ALDH1A1EPHX1SMN1; SMN2CYP1A2ATM

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
US-7553989-B2 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-30 US disclosed
US-20050272950-A1 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA LTD. (JP) 2005-12-08 US disclosed
EP-1561748-A1 MALONIC ACID MONOESTERS AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2005-08-10 EP disclosed
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
US-6458780-B1 IMIDAZO(5,1-B)THIAZOLE GROUP AT THE 2-POSITION ON THE CARBAPENEM RING HAVE HIGH ANTI-MICROBIAL ACTIVITIES AGAINST .BETA.-LACTAMASE PRODUCING BACTERIA, MRSA, RESISTANT-PSEUDOMONAS AERUGINOSA, PRSP, ENTEROCOCCI, AND MEIJI SEIKA KAISHA, LTD. (JP) 2002-10-01 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 (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-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 ALDH1A1 1161/4885METAP2 2390/4885EPHX1 3016/4885
US-20050272950-A1 Malonic acid monoesters and process for producing the same ME1, SI, ME3 ALDH1A1 132/4885METAP2 1751/4885EPHX1 1391/4885

“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.