SCHEMBL6897189

SCHEMBL6897189

C[CH]OC(=O)OC(C1CCCCC1)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.36
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MMP2 P08253 2/20 0.33
CA9 Q16790 2/20 0.33
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
DHODH Q02127 1/20 0.32
TP53 P04637 1/20 0.31
NPC1 O15118 3/20 0.30
RAB9A P51151 3/20 0.30
SMN1; SMN2 Q16637 3/20 0.30
HPGD P15428 1/20 0.30
MAPT P10636 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL695862 0.87 EPHX1 (0.35) EPHX1CA12CA1CA2MMP2
SCHEMBL697685 0.85 CA12 (0.33) EPHX1CA12CA1CA2MMP2
SCHEMBL20943419 0.83 EPHX1 (0.44) EPHX1ALDH1A1TP53NPC1RAB9A
SCHEMBL697823 0.81
SCHEMBL10890511 0.79 EPHX1 (0.41) EPHX1CA12CA1CA2MMP2
SCHEMBL696904 0.76 ALOX5 (0.31)
SCHEMBL6897192 0.76 ALDH1A1 (0.43) ALDH1A1NPSR1MAPTKDM4E
SCHEMBL6895972 0.76 EPHX1 (0.35) EPHX1CA12CA1CA2MMP2
SCHEMBL9609345 0.75 TSHR (0.44) EPHX1CA12CA1CA2MMP2
SCHEMBL6989063 0.73 OPRK1 (0.33) EPHX1TP53MAPT

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 EPHX1 3016/4885CA12 3300/4885CA1 3642/4885

“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.