SCHEMBL383729

SCHEMBL383729

CC(=O)c1cc(C(C)C)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.55
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GLRA1 P23415 2/20 0.51
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BRD4 O60885 1/20 0.46
RXRA P19793 1/20 0.45
SGMS2 Q8NHU3 1/20 0.45
FOLH1 Q04609 1/20 0.44
MCL1 Q07820 1/20 0.43

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
SCHEMBL22354782 0.93 SMN1; SMN2 (0.49) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL383740 0.90 FOLH1 (0.55) MAOBL3MBTL1GLRA1MEN1KMT2A
SCHEMBL12659923 0.89 L3MBTL1 (0.53) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL382283 0.88 GLRA1 (0.60) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL21644545 0.86 HDAC8 (0.46) MAOBMAPTSMN1; SMN2CYP3A4TSHR
SCHEMBL1148717 0.86 GLRA1 (0.49) SMN1; SMN2GLRA1BRD4RXRASGMS2
SCHEMBL31363066 0.86 GLRA1 (0.49) MAOBTDP1L3MBTL1GLRA1CYP3A4
SCHEMBL21644687 0.86 SGMS2 (0.62) MAPTSMN1; SMN2MEN1KMT2ASGMS2
SCHEMBL30779582 0.86 SGMS2 (0.62) MAPTSMN1; SMN2MEN1KMT2ASGMS2
SCHEMBL19339226 0.85 MAOB (0.54) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2

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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11234987-B2 Isoxazole compounds as inhibitors of heat shock proteins CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-02-01 US disclosed
US-11234987-B2 Isoxazole compounds as inhibitors of heat shock proteins CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-02-01 US disclosed
US-10413550-B2 Isoxazole compounds as inhibitors of heat shock proteins THE INSTITUTE OF CANCER RESEARCH (GB) 2019-09-17 US disclosed
US-10413550-B2 Isoxazole compounds as inhibitors of heat shock proteins THE INSTITUTE OF CANCER RESEARCH (GB) 2019-09-17 US disclosed
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 US disclosed
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 US disclosed
US-20170326152-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins VERNALIS DEVELOPMENT LIMITED (GB) 2017-11-16 US disclosed
US-20170326152-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins VERNALIS DEVELOPMENT LIMITED (GB) 2017-11-16 US disclosed
US-20170326152-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins VERNALIS DEVELOPMENT LIMITED (GB) 2017-11-16 US disclosed
EP-2073804-B1 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THE TREATMENT OF PAIN ASTEX THERAPEUTICS LTD (GB) 2017-09-13 EP disclosed
WO-2008044045-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
EP-1877379-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 Astex Therapeutics Limited (GB) 2008-01-16 EP disclosed
US-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-29 US disclosed
US-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-29 US disclosed
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 US disclosed
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 US disclosed
US-20060241106-A1 Isoxazole compounds as inhibitors of heat shock proteins VERNALIS DEVELOPMENT LIMITED (GB) 2006-10-26 US disclosed
WO-2006109085-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2006-10-19 WO disclosed
EP-1611112-A1 ISOXAZOLE COMPOUNDS AS INHIBITORS OF HEAT SHOCK PROTEINS Vernalis (Cambridge) Limited (GB) 2006-01-04 EP disclosed
WO-2004072051-A1 ISOXAZOLE COMPOUNDS AS INHIBITORS OF HEAT SHOCK PROTEINS VERNALIS (CAMBRIDGE) LIMITED (GB) 2004-08-26 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 (6 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-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 MAOB 677/4885MAPT 1085/4885CYP2C9 581/4885
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 MAOB 665/4885MAPT 1118/4885CYP2C9 584/4885
US-20170326152-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins HSP90AB1, HSP90AA1, HSP90AB2P MAOB 3440/4885MAPT 4418/4885CYP2C9 1533/4885
US-20060241106-A1 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P MAOB 3251/4885MAPT 4314/4885CYP2C9 1799/4885
US-10413550-B2 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P MAOB 3368/4885MAPT 4411/4885CYP2C9 1538/4885
US-11234987-B2 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P MAOB 3440/4885MAPT 4418/4885CYP2C9 1533/4885

“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.