SCHEMBL8445838

SCHEMBL8445838

CCCNCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.62
EPHX2 P34913 1/20 0.62
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
DRD4 P21917 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
BCHE P06276 4/20 0.49
RECQL P46063 1/20 0.48
ATM Q13315 1/20 0.48
MAPK14 Q16539 1/20 0.47

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
Hydrochloric Acid SCHEMBL8492706 0.98 LTA4H (0.60) LTA4HEPHX2KDM4EALDH1A1HTT
SCHEMBL9237106 0.90 LTA4H (0.59) LTA4HEPHX2KDM4EALDH1A1HTT
SCHEMBL8497225 0.86 CHRM2 (0.55) LTA4HEPHX2KDM4EALDH1A1HTT
SCHEMBL8826233 0.85 PPARG (0.56) LTA4HEPHX2KDM4EALDH1A1HTT
SCHEMBL13973066 0.85 KDM4E (0.59) LTA4HEPHX2KDM4EALDH1A1HTT
SCHEMBL8493176 0.85 KDM4E (0.64) KDM4EALDH1A1HTTSMN1; SMN2DRD4
SCHEMBL8497858 0.85 KDM4E (0.67) LTA4HEPHX2KDM4EALDH1A1HTT
SCHEMBL8493803 0.84 HTT (0.52) LTA4HEPHX2KDM4EALDH1A1HTT
SCHEMBL8496914 0.83 LTA4H (0.59) LTA4HEPHX2KDM4EALDH1A1HTT
SCHEMBL7756966 0.83 KDM4E (0.70) LTA4HEPHX2KDM4EALDH1A1HTT

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-10030006-B2 Coumarin based Hsp90 inhibitors with urea and ether substituents UNIVERSITY OF KANSAS (US) 2018-07-24 US disclosed
EP-0618907-B1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS BRITISH TECH GROUP INT (GB) 1999-04-28 EP disclosed
EP-0677039-B1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LAB (US) 1999-03-10 EP disclosed
US-5783593-A FUNGICIDE; ANTICHOLESTEROL AGENT ABBOTT LABORATORIES (US) 1998-07-21 US disclosed
WO-1996034850-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 WO disclosed
EP-0677039-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE Abbott Laboratories (US) 1995-10-18 EP disclosed
WO-1995012572-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1995-05-11 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-10030006-B2 Coumarin based Hsp90 inhibitors with urea and ether substituents HSP90B1, HSP90AA1, HSP90AB1 LTA4H 3727/4885EPHX2 2284/4885KDM4E 1792/4885

“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.