SCHEMBL2859155

SCHEMBL2859155

COCOc1cc(OCOC)c(C(=O)c2ccc(OC)cc2)c(CC(=O)OC)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 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
SCHEMBL2868910 0.90 MAPT (0.43) MAPTNPSR1RXFP1MEN1LMNA
SCHEMBL2859821 0.86 AKR1C3 (0.41) MAPTNPSR1RXFP1MEN1LMNA
SCHEMBL4381629 0.82 HSP90AB1 (0.33) MAPTLMNARAB9AALDH1A1HTT
SCHEMBL4381375 0.81 HSP90AB1 (0.39) MAPTNPSR1RXFP1MEN1LMNA
SCHEMBL2868704 0.80 POLB (0.35) MAPTNPSR1RXFP1MEN1LMNA
SCHEMBL2859363 0.79 NPC1 (0.43) MAPTNPSR1RXFP1MEN1LMNA
SCHEMBL2855866 0.76 MAPT (0.43) MAPTNPSR1AKR1C3AKR1C2ALDH1A1
SCHEMBL4383640 0.75 HSP90AB1 (0.34) MAPTMEN1LMNAKMT2AALDH1A1
SCHEMBL4390428 0.75 HSP90AB1 (0.34) MAPTRXFP1MEN1LMNAMAPK1
SCHEMBL2864802 0.74 ALDH1A1 (0.40) MAPTNPSR1RXFP1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 US disclosed
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 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 (2 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-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P MAPT 1791/4885NPSR1 1364/4885RXFP1 3908/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P MAPT 1791/4885NPSR1 1364/4885RXFP1 3908/4885

“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.