SCHEMBL6034860

SCHEMBL6034860

CCOc1nn(-c2ccc(C(F)(F)F)cn2)cc1CCOc1cc(CC(=O)O)n(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
PPARD Q03181 7/20 0.34
PPARA Q07869 7/20 0.34
GCGR P47871 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
CHRNA7 P36544 1/20 0.33
GCG P01275 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
AGBL2 Q5U5Z8 1/20 0.32

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
SCHEMBL6036044 0.96 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EHPGDNPC1MAPT
SCHEMBL6035777 0.89 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EHPGDNPC1MAPT
SCHEMBL6255982 0.85 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EHPGDNPC1MAPT
SCHEMBL6035137 0.85 SMN1; SMN2 (0.36) SMN1; SMN2KDM4EHPGDNPC1MAPT
SCHEMBL6035388 0.84 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EHPGDNPC1MAPT
SCHEMBL6034684 0.83 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EHPGDNPC1MAPT
SCHEMBL6035813 0.83 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EHPGDNPC1MAPT
SCHEMBL6035895 0.82 KDM4E (0.43) SMN1; SMN2KDM4EHPGDNPC1MAPT
SCHEMBL6035939 0.82 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EHPGDNPC1MAPT
SCHEMBL6035924 0.82 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EHPGDMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
EP-1358143-B1 PROCESS AND INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF PESTICIDAL FLUOROOLEFIN COMPOUNDS BASF AG (DE) 2005-04-13 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
US-6770788-B2 REACTING A SUBSTITUTED 1-BROMO-1-FLUORO-3-ARYL-1-PROPENE AN ARYLMETHYL ZINC COMPOUND IN THE PRESENCE OF A PALLADIUM CATALYST AND A SOLVENT BASF AKTIENGESELLSCHAFT (DE) 2004-08-03 US disclosed
US-20030135075-A1 Process and intermediate compounds for preparation of pesticidal fluoroolefin compounds WOOD WILLIAM WAKEFIELD (US) 2003-07-17 US disclosed
US-6495728-B2 ARALKYLATION OF A FLUOROBROMOOLEFIN WITH AN ARALKYLZINC BROMIDE OR BIS(ARALKYL)ZINC IN PRESENCE OF A PALLADIUM CATALYST; PREPARATION OF THE OLEFIN FROM AN ALDEHYDE AND CBR3F, A PHOSPHINE OR PHOSPHORAMIDE AND ZINC BASF AKTIENGESELLSCHAFT (DE) 2002-12-17 US disclosed
US-20020062049-A1 Process and intermediate compounds for the preparation of pesticidal fluoroolefin compounds BASF AKTIENGESELLSCHAFT 2002-05-23 US 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 (3 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-20030135075-A1 Process and intermediate compounds for preparation of pesticidal fluoroolefin compounds DDT, AHR, CYP2F1 SMN1; SMN2 2937/4885KDM4E 1766/4885HPGD 3557/4885
US-20020062049-A1 Process and intermediate compounds for the preparation of pesticidal fluoroolefin compounds DDT, PFAS, CYP2F1 SMN1; SMN2 3333/4885KDM4E 1506/4885HPGD 3216/4885
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 SMN1; SMN2 4408/4885KDM4E 509/4885HPGD 3297/4885

“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.