SCHEMBL2887843

SCHEMBL2887843

CC(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
GAA P10253 1/20 0.54
RAB9A P51151 1/20 0.53
MAPK9 P45984 1/20 0.51
MAPT P10636 3/20 0.50
GPR55 Q9Y2T6 2/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
TP53 P04637 1/20 0.50
HTR1A P08908 1/20 0.50
CNR1 P21554 1/20 0.50
HTR7 P34969 1/20 0.50
HTR6 P50406 1/20 0.50
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL6705049 0.88 KMT2A (0.73) KMT2AGAARAB9AMAPK9MAPT
SCHEMBL2889994 0.82 KMT2A (0.58) KMT2AGAARAB9AMAPK9MAPT
SCHEMBL6705540 0.82 KMT2A (0.58) KMT2AGAARAB9AMAPK9MAPT
SCHEMBL12920653 0.81 KMT2A (0.56) KMT2AGAARAB9AMAPK9MAPT
SCHEMBL17656442 0.80 EDNRA (0.50) KMT2AGAAMEN1ALDH1A1NPSR1
SCHEMBL12873999 0.78 KMT2A (0.57) KMT2ARAB9AMAPTGPR55MEN1
SCHEMBL109205 0.78 LMNA (0.53) KMT2AMAPTMEN1CYP2D6CYP2C9
SCHEMBL22088846 0.77 KMT2A (0.70) KMT2ARAB9AMAPK9MAPTMEN1
SCHEMBL6703303 0.77 EDNRA (0.51) KMT2AGAARAB9AMAPK9MAPT
SCHEMBL10941929 0.76 KMT2A (0.51) KMT2AGAAMAPK9MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121069-A1 METHOD FOR MANUFACTURING A BETA-DIARYL ELECTRON WITHDRAWING GROUP SUBSTITUTED COMPOUND MSD K.K. (JP) 2010-05-13 US disclosed
EP-2042478-A1 METHOD FOR PRODUCING -DIARYL ELECTRON-WITHDRAWING GROUP SUBSTITUTED COMPOUND Japan Science and Technology Agency (JP) 2009-04-01 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-20100121069-A1 METHOD FOR MANUFACTURING A BETA-DIARYL ELECTRON WITHDRAWING GROUP SUBSTITUTED COMPOUND BMP6, GPR6, ACSL6 KMT2A 3157/4885GAA 1713/4885RAB9A 3234/4885

“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.