SCHEMBL6891495

SCHEMBL6891495

[CH2]OC(=O)c1cc(C)cc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.54
CNR2 P34972 2/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
NR1I2 O75469 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
HCAR1 Q9BXC0 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
C1S P09871 1/20 0.41

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
SCHEMBL11520841 0.82 TPMT (0.56) TPMTCNR2MEN1KMT2ANPC1
SCHEMBL2212388 0.82 TPMT (0.56) TPMTCNR2MEN1KMT2ANPC1
SCHEMBL7634241 0.81 TPMT (0.50) TPMTCNR2MEN1KMT2ANPC1
SCHEMBL6972854 0.81 PARP1 (0.57) MEN1KMT2ANPC1RAB9ACYP1A2
Methyl 3,5-Dimethylbenzoate SCHEMBL334346 0.80 CNR2 (0.66) TPMTCNR2MEN1KMT2ATDP1
SCHEMBL7636103 0.80 TPMT (0.54) TPMTCNR2MEN1KMT2ANPC1
SCHEMBL513954 0.78 TDP1 (0.64) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL15083105 0.78 TPMT (0.52) TPMTCNR2MEN1KMT2ANPC1
SCHEMBL28811339 0.78 TPMT (0.52) TPMTCNR2MEN1KMT2ANPC1
SCHEMBL27964655 0.78 TPMT (0.52) TPMTCNR2MEN1KMT2ANPC1

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 TPMT 1284/4885CNR2 4437/4885MEN1 2832/4885

“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.