SCHEMBL4487007

SCHEMBL4487007

[CH2]OC(=O)c1ccc(C)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
TNF P01375 1/20 0.44
PKM P14618 1/20 0.44
CDK5 Q00535 1/20 0.44
KLF5 Q13887 1/20 0.44
CDK5R1 Q15078 1/20 0.44
NOD1 Q9Y239 1/20 0.44
NFE2L2 Q16236 1/20 0.44
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD11B1 P28845 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL7635274 0.85 KMT2A (0.44) KMT2AMEN1TAS1R3TAS1R1TAS1R2
SCHEMBL6893999 0.84 MEN1 (0.49) KMT2AMEN1NPC1SMN1; SMN2MAPT
SCHEMBL6113261 0.83 KMT2A (0.49) KMT2AMEN1TAS1R3TAS1R1TAS1R2
SCHEMBL29462647 0.83 KMT2A (0.49) KMT2AMEN1TAS1R3TAS1R1TAS1R2
SCHEMBL124710 0.83 KMT2A (0.49) KMT2AMEN1TAS1R3TAS1R1TAS1R2
SCHEMBL8527590 0.82 KMT2A (0.48) KMT2AMEN1TAS1R3TAS1R1TAS1R2
SCHEMBL158111 0.82 TDP1 (0.57) KMT2AMEN1TAS1R3TAS1R1TAS1R2
SCHEMBL23736407 0.80 KMT2A (0.47) KMT2AMEN1TAS1R3TAS1R1TAS1R2
SCHEMBL6792119 0.80 KMT2A (0.47) KMT2AMEN1TAS1R3TAS1R1TAS1R2
SCHEMBL18583320 0.80 RAB9A (0.48) KMT2AMEN1TAS1R3TAS1R1TAS1R2

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 10 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
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 EP disclosed
EP-0148883-B1 ALLOPURINOL PRODRUGS A/S GEA Farmaceutisk Fabrik (DK) 1990-02-14 EP disclosed
US-4694006-A Acyl- or acyloxymethyl-allopurinol prodrugs A/S GEA (DK) 1987-09-15 US disclosed
EP-0148883-A1 ALLOPURINOL PRODRUGS. GEA AS (DK) 1985-07-24 EP disclosed
WO-1985000368-A1 ALLOPURINOL PRODRUGS A/S GEA (DK) 1985-01-31 WO 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 KMT2A 3040/4885MEN1 2832/4885TAS1R3 1873/4885
US-20050272950-A1 Malonic acid monoesters and process for producing the same ME1, SI, ME3 KMT2A 1463/4885MEN1 765/4885TAS1R3 2585/4885

“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.