SCHEMBL1019620

SCHEMBL1019620

C=CCOc1cc(OCC=C)c(C(C)C)cc1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.43
CASP1 P29466 1/20 0.41
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 1/20 0.40
LIG1 P18858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
BLM P54132 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.36
CYP2D6 P10635 2/20 0.36
SLC22A1 O15245 1/20 0.36
CYP1A2 P05177 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL1019663 0.94 FLT3 (0.40) FLT3CASP1ADRB2ADRB1ADRB3
SCHEMBL1020114 0.89 HSP90AA1 (0.42) FLT3CASP1ADRB2ADRB1ADRB3
SCHEMBL1019622 0.89 HSP90AA1 (0.40) FLT3CASP1ADRB2ADRB1ADRB3
SCHEMBL20393894 0.87 FLT3 (0.50) FLT3CASP1ADRB2ADRB1ADRB3
SCHEMBL1019275 0.86 TSHR (0.54) FLT3ADRB2ADRB1ADRB3LIG1
SCHEMBL20391495 0.84 TDP1 (0.49) FLT3CASP1LIG1KDM4EBLM
SCHEMBL1018574 0.81 CHEK1 (0.41) KDM4EGAATSHRTDP1LMNA
SCHEMBL20677873 0.80 GAA (0.47) FLT3CASP1LIG1KDM4EBLM
SCHEMBL10246545 0.80 THRA (0.42) CASP1KDM4EGAATSHRTDP1
SCHEMBL29116983 0.80 FLT3 (0.47) FLT3CASP1ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889552-B2 Dihydroxybenzamide compound having HSP90 inhibitory activity or pharmaceutically acceptable salt thereof, and medical use thereof ONCOZEN CO.. LTD. (KR) 2021-01-12 US disclosed
US-10464907-B2 Compound having HSP90 inhibitory activity or pharmaceutically acceptable salt thereof, and medical use thereof INDUSTRY ACADEMIC COOPERATION FOUNDATION KEIMYUNG UNIVERSITY (KR) 2019-11-05 US disclosed
US-20190031620-A1 NOVEL COMPOUND HAVING HSP90 INHIBITORY ACTIVITY OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND MEDICAL USE THEREOF INDUSTRY ACADEMIC COOPERATION FOUNDATION KEIMYUNG UNIVERSITY (KR) 2019-01-31 US disclosed
EP-2271618-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2014-05-21 EP disclosed
EP-2271618-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2014-05-21 EP disclosed
US-8664218-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LTD. (GB) 2014-03-04 US disclosed
US-8664218-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LTD. (GB) 2014-03-04 US disclosed
US-8664218-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LTD. (GB) 2014-03-04 US disclosed
US-20130210820-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-08-15 US disclosed
US-20130210820-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-08-15 US disclosed
US-20130210820-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-08-15 US disclosed
US-8383619-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-02-26 US disclosed
US-8383619-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-02-26 US disclosed
US-8383619-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-02-26 US disclosed
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2011-04-28 US disclosed
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2011-04-28 US disclosed
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2011-04-28 US disclosed
EP-2271618-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2011-01-12 EP disclosed
WO-2009125230-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2009-10-15 WO disclosed
WO-2009125230-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2009-10-15 WO 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 (5 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-20130210820-A1 Pharmaceutical Compounds SLC10A1, MAPT, SLC5A1 FLT3 2313/4885CASP1 1008/4885ADRB2 378/4885
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS NR3C2, NR5A2, NR0B1 FLT3 3144/4885CASP1 4444/4885ADRB2 25/4885
US-10889552-B2 Dihydroxybenzamide compound having HSP90 inhibitory activity or pharmaceutically acceptable salt thereof, and medical use thereof HSP90AB1, HSP90AA1, HSP90AB2P FLT3 2577/4885CASP1 2894/4885ADRB2 3782/4885
US-20190031620-A1 NOVEL COMPOUND HAVING HSP90 INHIBITORY ACTIVITY OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND MEDICAL USE THEREOF HSP90AA1, HSP90AB1, HSP90AB2P FLT3 2050/4885CASP1 2360/4885ADRB2 4521/4885
US-10464907-B2 Compound having HSP90 inhibitory activity or pharmaceutically acceptable salt thereof, and medical use thereof HSP90AA1, HSP90AB1, HSP90AB2P FLT3 2065/4885CASP1 2359/4885ADRB2 4449/4885

“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.