SCHEMBL4099240

SCHEMBL4099240

COc1ccc(CCCl)cc1C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.44
MAPT P10636 3/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
DNMT3A Q9Y6K1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 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
SCHEMBL2950901 0.85 DRD2 (0.50) LMNASMN1; SMN2ALDH1A1KMT2APPARG
SCHEMBL3808251 0.85 CYP4F2 (0.45) MRGPRX4MAPTHTTLMNASMN1; SMN2
SCHEMBL11897975 0.84 LMNA (0.45) MAPTHTTLMNASMN1; SMN2CA12
SCHEMBL12569398 0.84 KDM4E (0.62) LMNAKMT2ACYP1A2CYP3A4TSHR
SCHEMBL23935649 0.83 PPARA (0.57) PPARGPPARA
SCHEMBL1415515 0.83 PPARG (0.57) CYP1A2CYP3A4PPARGPPARA
SCHEMBL18782458 0.81 DRD2 (0.48) MRGPRX4MAPTHTTLMNASMN1; SMN2
SCHEMBL3817257 0.81 TNKS2 (0.46) MAPTHTTLMNASMN1; SMN2CA12
SCHEMBL10596755 0.80 PPARA (0.66) CYP1A2CYP3A4PPARGPPARA
SCHEMBL7078432 0.80 MRGPRX4 (0.46) MRGPRX4MAPTHTTLMNASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221702-A1 COMPOUNDS IMPERIAL INNOVATIONS LIMITED (GB) 2009-09-03 US disclosed
US-20090221702-A1 COMPOUNDS IMPERIAL INNOVATIONS LIMITED (GB) 2009-09-03 US disclosed
US-20090221702-A1 COMPOUNDS IMPERIAL INNOVATIONS LIMITED (GB) 2009-09-03 US disclosed
EP-1879562-A2 PHENOL DERIVATIVES AND THEIR USE TO MODULATE PKB ACTIVITY Imperial Innovations Limited (GB) 2008-01-23 EP disclosed
WO-2006097744-A2 PHENOL DERIVATIVES AND THEIR USE TO MODULATE PKB ACTIVITY IMPERIAL INNOVATIONS LIMITED (GB) 2006-09-21 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 (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-20090221702-A1 COMPOUNDS NCEH1, NME2, HRH3 AKT1 33/4885MRGPRX4 1577/4885MAPT 4281/4885

“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.