SCHEMBL632678

SCHEMBL632678

Cc1ccc(COCC(C)C)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.42
MEN1 O00255 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CYP2C9 P11712 1/20 0.42
CHRM3 P20309 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 4/20 0.41
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
THRB P10828 2/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ESR2 Q92731 1/20 0.36
ALOX5 P09917 3/20 0.35
NPC1 O15118 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL16197726 0.83 CHRM2 (0.52) CHRM2MEN1CHRM4CHRM5CHRM1
SCHEMBL12417813 0.81 ALOX5 (0.41) MAPTPOLBKDM4EALOX5NPC1
SCHEMBL632041 0.78 CHRM2 (0.47) CHRM2MEN1CHRM4CHRM5CHRM1
Ether SCHEMBL17606594 0.76 CHRM2 (0.45) CHRM2MEN1CHRM4CHRM5CHRM1
SCHEMBL1664017 0.75 ALDH1A1 (0.49) MAPTPOLBTDP1TP53KDM4E
SCHEMBL19943508 0.73 CHRM2 (0.42) CHRM2MEN1CHRM4CHRM5CHRM1
SCHEMBL633130 0.73 CHRM2 (0.42) CHRM2MEN1CHRM4CHRM5CHRM1
SCHEMBL104309 0.73 CHRM2 (0.50) CHRM2MEN1CHRM4CHRM5CHRM1
SCHEMBL254883 0.73
SCHEMBL10976512 0.72 HSD17B10 (0.40) KMT2APOLBTDP1KDM4EALOX5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197862-B1 5-SUBSTITUTED 2-METHYLFURAN FURANIX TECHNOLOGIES BV (NL) 2012-02-22 EP claimed
US-20100212218-A1 5-(SUBSTITUTED METHYL) 2-METHYLFURAN FURANIX TECHNOLOGIES B.V. (NL) 2010-08-26 US claimed
EP-2197862-A2 5-SUBSTITUTED 2-METHYLFURAN Furanix Technologies B.V (NL) 2010-06-23 EP claimed
WO-2009030510-A2 5-(SUBSTITUTED METHYL) 2-METHYLFURAN FURANIX TECHNOLOGIES B.V. (NL) 2009-03-12 WO claimed
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 US disclosed
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 US 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-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E CHRM2 4005/4885MEN1 4773/4885CHRM4 4542/4885

“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.