SCHEMBL4377973

SCHEMBL4377973

COCOc1cc(OCOC)c(-c2ccccc2)c(COCC2CCCO2)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.36
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TNK2 Q07912 6/20 0.34
BRD4 O60885 1/20 0.33
LCK P06239 4/20 0.33

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
SCHEMBL4382471 0.81 GRIN1 (0.40) POLBMAPTMEN1KMT2AKDM4E
SCHEMBL4392489 0.79 F2RL3 (0.36) POLBMAPTMEN1KMT2ATDP1
SCHEMBL4389002 0.78 GRIN1 (0.38) MAPTMEN1KMT2AALDH1A1TNK2
SCHEMBL4379902 0.78 EGFR (0.39) POLBMAPTMEN1KMT2ATDP1
SCHEMBL4383213 0.78 MGLL (0.39) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4387603 0.78 AR (0.40)
SCHEMBL4387158 0.78 F2RL3 (0.36) POLBMAPTMEN1KMT2ATDP1
SCHEMBL4383926 0.75 EGFR (0.33)
SCHEMBL4387418 0.73 EGFR (0.44) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL4383991 0.73 EGFR (0.39) MAPTTDP1

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 CCR5 3917/4885POLB 3913/4885NPSR1 331/4885

“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.