SCHEMBL382550

SCHEMBL382550

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
MCL1 Q07820 3/20 0.51
MAOB P27338 2/20 0.50
PTGER1 P34995 3/20 0.49
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
BRD4 O60885 1/20 0.48
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
MEN1 O00255 2/20 0.45

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
SCHEMBL4015321 0.99 FOLH1 (0.55) FOLH1L3MBTL1ALDH1A1KDM4EPOLB
Potassium Ion SCHEMBL4012442 0.97 FOLH1 (0.53) FOLH1L3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL10256205 0.90 MCL1 (0.54) FOLH1L3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL14646683 0.90 MAOB (0.57) FOLH1L3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL19326705 0.88 MAOB (0.60) FOLH1L3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL384400 0.87 ALDH1A1 (0.54) L3MBTL1ALDH1A1POLBMAOBMAPT
SCHEMBL383297 0.87 LMNA (0.50) L3MBTL1KDM4EMAOBMAPTCYP2C9
SCHEMBL31363103 0.87 ALDH1A1 (0.54) L3MBTL1ALDH1A1POLBMAOBMAPT
SCHEMBL24983867 0.84 FOLH1 (0.65) FOLH1L3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL30892473 0.84 FOLH1 (0.65) FOLH1L3MBTL1ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877379-B1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LTD (GB) 2013-01-16 EP claimed
EP-1877379-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 Astex Therapeutics Limited (GB) 2008-01-16 EP claimed
WO-2006109085-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2006-10-19 WO claimed
CN-119100970-A Bivalent inhibitor based on heat shock protein 90 and preparation method and application thereof 中国药科大学 2024-12-10 CN disclosed
WO-2019014600-A1 COMBINATION THERAPY FOR TREATING CANCER PLEX PHARMACEUTICALS, INC. (US) 2019-01-17 WO disclosed
US-20180169117-A1 PHARMACEUTICAL FORMULATION COMPRISING A SUBSTITUTED PHENYL - (1,3-DIHYDRO-ISOINDOL-2-YL) - METHANONE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-21 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
EP-2546233-B1 HYDROBENZAMIDE DERIVATIVES AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LTD (GB) 2018-02-21 EP disclosed
EP-2546233-B1 HYDROBENZAMIDE DERIVATIVES AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LTD (GB) 2018-02-21 EP 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
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-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (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-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 US disclosed
WO-2006109075-A2 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2006-10-19 WO disclosed
WO-2006109085-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2006-10-19 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 (4 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-20180169117-A1 PHARMACEUTICAL FORMULATION COMPRISING A SUBSTITUTED PHENYL - (1,3-DIHYDRO-ISOINDOL-2-YL) - METHANONE SDHA, LDHA, ALDH5A1 FOLH1 1959/4885L3MBTL1 2696/4885ALDH1A1 143/4885
US-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 FOLH1 4750/4885L3MBTL1 3182/4885ALDH1A1 1756/4885
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma HSP90AB2P, HSP90AA1, HSP90AB1 FOLH1 4191/4885L3MBTL1 731/4885ALDH1A1 377/4885
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 FOLH1 4751/4885L3MBTL1 3211/4885ALDH1A1 1740/4885

“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.