SCHEMBL649032

SCHEMBL649032

CC(=O)OOc1cccc(C)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ACHE P22303 1/20 0.37
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.34
ESR1 P03372 2/20 0.33
BRPF1 P55201 1/20 0.33
LMNA P02545 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
HMGB1 P09429 1/20 0.33
TSHR P16473 1/20 0.33
GGT1 P19440 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
BLM P54132 1/20 0.33
NAPRT Q6XQN6 1/20 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
SCHEMBL6351831 0.81 PTPN1 (0.53) PTPN1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11139550 0.81 POLB (0.46) PTPN1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1957403 0.81 PTPN1 (0.44) PTPN1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28568578 0.79 PTPN1 (0.42) PTPN1KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL1959411 0.79 PTPN1 (0.42) PTPN1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29778154 0.79 PTPN1 (0.42) PTPN1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL16058707 0.79 THRB (0.44) PTPN1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL31282580 0.75 ALDH1A1 (0.52) PTPN1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7960745 0.72 ALDH1A1 (0.52) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL1432109 0.71 KMT2A (0.41) PTPN1KDM4EALDH1A1HPGDHSD17B10

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-2097385-B1 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS MERCK SHARP & DOHME (US) 2012-08-01 EP disclosed
US-8119681-B2 2-[1-phenyl-5-hydroxy or methoxy-4alpha-methyl-hexahydrocyclopenta [ƒ]indazole-5-YL]ethyl phenyl derivatives as glucocorticoid receptor ligands MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
EP-2091922-B1 2-[1-PHENYL-5-HYDROXY-4ALPHA-METHYL-HEXAHYDROCYCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS MERCK SHARP & DOHME (US) 2011-12-21 EP disclosed
US-20100311709-A1 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCYCLOPENTA [f]INDAZOLE-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. 2010-12-09 US disclosed
EP-2097385-A1 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS Merck & Co., Inc. (US) 2009-09-09 EP disclosed
WO-2008051532-A1 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS MERCK & CO., INC. (US) 2008-05-02 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 (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-20100311709-A1 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCYCLOPENTA [f]INDAZOLE-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS NR3C1, NR3C2, NR5A1 PTPN1 783/4885KDM4E 1259/4885ALDH1A1 1742/4885

“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.