SCHEMBL2888348

SCHEMBL2888348

CCCOc1cc[c]c(C(=O)OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MAPT P10636 3/20 0.42
PLK1 P53350 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
LMNA P02545 3/20 0.40
MAPK1 P28482 2/20 0.40
HIF1A Q16665 1/20 0.40
PLA2G2A P14555 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
RUNX1 Q01196 1/20 0.39

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
SCHEMBL1637879 0.80 CA1 (0.46) KMT2AMAPTMAPK1ALDH1A1MEN1
SCHEMBL7495051 0.76 LOXL2 (0.40) KMT2AMAPTLMNAALDH1A1KDM4E
SCHEMBL128693 0.75 CA1 (0.48) KMT2AMAPTLMNAMAPK1ALDH1A1
SCHEMBL8459627 0.75 MRGPRX4 (0.44) KMT2AKDM4EGAARAB9AALPL
SCHEMBL27623940 0.75 PLA2G2A (0.44) NR1H4PLA2G2ATSHRTHRB
SCHEMBL25215540 0.74 LTA4H (0.46) KMT2AMAPTPLK1NR1H4LMNA
SCHEMBL15066586 0.73 KMT2A (0.42) KMT2AMAPTPLK1NR1H4MEN1
SCHEMBL18199320 0.73 PLA2G2A (0.50) KMT2AMAPTPLK1LMNAMAPK1
SCHEMBL11082374 0.72 KDM4E (0.50) LMNAMAPK1ALDH1A1KDM4EHPGD
SCHEMBL2340354 0.72 KMT2A (0.71) KMT2AMAPTNR1H4LMNAMAPK1

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 3157/4885MAPT 4840/4885PLK1 4565/4885

“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.