SCHEMBL6892578

SCHEMBL6892578

C[CH]OC(=O)Oc1c(C)cc(C)cc1C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 5/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32
MIF P14174 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
ATM Q13315 1/20 0.31
HTT P42858 2/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6894110 0.84 MAPT (0.43) ALDH1A1KDM4ESMN1; SMN2NPSR1POLB
SCHEMBL15509359 0.83 RAPGEF4 (0.40) ALDH1A1KDM4ERAPGEF4MIFPOLB
SCHEMBL6894273 0.81 L3MBTL1 (0.46) ALDH1A1KDM4ESMN1; SMN2POLBATM
SCHEMBL10958003 0.79 RAPGEF4 (0.37) ALDH1A1KDM4ERAPGEF4MIFSMN1; SMN2
SCHEMBL6894175 0.78 MEN1 (0.41) ALDH1A1KDM4ESMN1; SMN2NPSR1MAPT
SCHEMBL9682715 0.78 RAPGEF4 (0.41) ALDH1A1KDM4ERAPGEF4MAPTHSD17B10
SCHEMBL6890294 0.77 L3MBTL1 (0.46) ALDH1A1KDM4ESMN1; SMN2NPC1NPSR1
SCHEMBL10814380 0.76 RAPGEF4 (0.34) ALDH1A1KDM4ERAPGEF4MIFPOLB
SCHEMBL6892583 0.74 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2MAPTTDP1
SCHEMBL11628421 0.73 TDP1 (0.40) ALDH1A1KDM4ENPSR1POLBMAPT

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 ALDH1A1 1161/4885KDM4E 1406/4885RAPGEF4 3959/4885

“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.