SCHEMBL3267648

SCHEMBL3267648

Cc1cc(COc2ccc(Cl)cc2Cl)c(C)c(C)c1C=O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.52
ADRB2 P07550 1/20 0.46
S1PR4 O95977 3/20 0.43
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 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
SCHEMBL3267978 0.74 ALDH1A1 (0.52) CYP1A2TDP1
SCHEMBL3268412 0.73 CCNB2 (0.43)
SCHEMBL15678979 0.69 MAPT (0.47) MRGPRX4S1PR4CYP1A2TDP1TSHR
SCHEMBL22481017 0.68 MRGPRX4 (1.00) MRGPRX4ADRB2TDP1
SCHEMBL25949702 0.68 CYP3A4 (0.34)
SCHEMBL22481075 0.68 MRGPRX4 (1.00) MRGPRX4ADRB2
SCHEMBL31568543 0.68 MRGPRX4 (1.00) MRGPRX4ADRB2
SCHEMBL3736949 0.67 TDP1 (0.56) MRGPRX4S1PR4TDP1TSHR
SCHEMBL13269603 0.67 ALDH1A1 (0.33) TSHR
SCHEMBL6644338 0.67 MAPT (0.60) MRGPRX4ADRB2CYP1A2TDP1

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
EP-1914229-B1 NOVEL CERCOSPORAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-06-16 EP disclosed
US-20090036492-A1 Novel Cercosporamide Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-05 US disclosed
EP-1914229-A1 NOVEL CERCOSPORAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-04-23 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-20090036492-A1 Novel Cercosporamide Derivative GPR119, CBR3, SLC5A2 MRGPRX4 191/4885ADRB2 2445/4885S1PR4 1761/4885

“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.