SCHEMBL13034124

SCHEMBL13034124

COc1ccc(COC(C)=O)c(OC)c1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
HTR5A P47898 1/20 0.40
TSHR P16473 3/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
IMPDH2 P12268 1/20 0.40
MYC P01106 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPK10 P53779 1/20 0.38

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
SCHEMBL9817705 0.82 IMPDH2 (0.54) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL8072931 0.80 SMN1; SMN2 (0.37) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL13034151 0.79 SMN1; SMN2 (0.42) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL8728262 0.79 KDM4E (0.39) ALDH1A1KDM4ESMN1; SMN2TSHRMAPT
SCHEMBL13034146 0.79 RXFP1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL28608030 0.77 TAAR1 (0.46) TAAR1MEN1KMT2APOLBALDH1A1
SCHEMBL13067439 0.77 MEN1 (0.49) TAAR1MEN1KMT2APOLBALDH1A1
SCHEMBL5146259 0.77 HSD17B10 (0.54) TAAR1MEN1KMT2APOLBALDH1A1
SCHEMBL697386 0.75 KMT2A (0.48) TAAR1MEN1KMT2APOLBALDH1A1
SCHEMBL13034161 0.75 SMN1; SMN2 (0.51) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TAAR1 2147/4885MEN1 493/4885KMT2A 945/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TAAR1 2147/4885MEN1 493/4885KMT2A 945/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TAAR1 2147/4885MEN1 493/4885KMT2A 945/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TAAR1 2147/4885MEN1 493/4885KMT2A 945/4885

“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.