SCHEMBL6896110

SCHEMBL6896110

C[CH]OC(=O)OCC(CC)CC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 2/20 0.33
CA2 P00918 1/20 0.33
RECQL P46063 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
LMNA P02545 1/20 0.30
SOAT1 P35610 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
SCHEMBL22556013 0.83 PRKCA (0.30)
SCHEMBL730130 0.82 ALDH1A1 (0.48) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL698511 0.82 MAPT (0.42) TSHRALDH1A1
SCHEMBL304126 0.78 TSHR (0.48) TSHRCYP3A4TDP1ALDH1A1LMNA
SCHEMBL4922810 0.78 TSHR (0.42) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL11653544 0.78 TSHR (0.42) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL19025622 0.77
SCHEMBL6896113 0.76 ALDH1A1 (0.62) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL23198 0.75
SCHEMBL6789528 0.74 TSHR (0.50) TSHRCYP3A4TDP1ATMALDH1A1

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 TSHR 4209/4885CYP3A4 1273/4885TDP1 3544/4885

“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.