SCHEMBL4383213

SCHEMBL4383213

Oc1cc(O)c(-c2ccccc2)c(COCC2CCCO2)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
OXTR P30559 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL4382254 0.89 MGLL (0.40) MGLLPRMT5WDR77KDM4EALDH1A1
SCHEMBL4377973 0.78 CCR5 (0.36) KDM4EALDH1A1KMT2AMEN1CYP1A2
SCHEMBL4391762 0.75 AR (0.44)
SCHEMBL4386422 0.74 NPC1 (0.42) MGLLKDM4EALDH1A1KMT2AMEN1
SCHEMBL4382852 0.72 F2RL3 (0.38) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL4384862 0.72 AR (0.33) CYP2D6
SCHEMBL21283683 0.72 LMNA (0.50) CYP1A2LMNA
SCHEMBL5660476 0.72 LMNA (0.50) CYP1A2LMNA
SCHEMBL4388379 0.71 F2RL3 (0.37) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL4390494 0.71 NPC1 (0.40) ALDH1A1CYP1A2CYP2C19TDP1LMNA

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
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P MGLL 4472/4885PRMT5 2380/4885WDR77 1571/4885

“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.