SCHEMBL7679679

SCHEMBL7679679

Cc1cc(C)c(OCCCCCl)c(C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.42
ERN1 O75460 2/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
ATM Q13315 1/20 0.36
MAPT P10636 2/20 0.36
MPI P34949 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6508732 0.85 SRC (0.44) SRCERN1KDM4EALDH1A1TDP1
SCHEMBL7284734 0.84 SRC (0.52) SRCERN1KDM4EALDH1A1TDP1
SCHEMBL7283876 0.83 SRC (0.50) SRCERN1KDM4EALDH1A1TDP1
SCHEMBL30251825 0.82 SRC (0.47) SRCERN1KDM4EALDH1A1TDP1
SCHEMBL22897454 0.78 SRC (0.44) SRCERN1KDM4EALDH1A1TDP1
SCHEMBL7679676 0.78 SRC (0.46) SRCKDM4EALDH1A1TDP1LMNA
SCHEMBL7290764 0.76 SRC (0.47) SRCERN1KDM4EALDH1A1TDP1
SCHEMBL28464657 0.75 ERN1 (0.44) SRCERN1KDM4EALDH1A1LMNA
SCHEMBL9146840 0.75 SRC (0.44) SRCERN1KDM4EALDH1A1TDP1
SCHEMBL6736649 0.74 SRC (0.49) SRCERN1KDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436939-B2 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS INCLUDING SLEEP/WAKE DISORDERS, DEMENTIA, ALZHEIMER'S DISEASE, EPILEPSY, NARCOLEPSY, EATING DISORDERS, MOTION SICKNESS, VERTIGO ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-20 US disclosed
US-20010044439-A1 Method for using 2-aryloxyalkylaminobenzoxazoles and 2-aryloxyalkylaminobenzothiazoles as H3 antagonists ORTHO MCNEIL PHARMACEUTICAL, INC. 2001-11-22 US disclosed
WO-2001074810-A2 METHOD FOR USING 2-ARYLOXYALKYLAMINOBENZOXAZOLES AND 2-ARYLOXYALKYLAMINOBENZOTHIAZOLES AS H3 ANTAGONISTS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 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-20010044439-A1 Method for using 2-aryloxyalkylaminobenzoxazoles and 2-aryloxyalkylaminobenzothiazoles as H3 antagonists HRH3, HRH4, HRH2 SRC 1547/4885ERN1 4643/4885KDM4E 377/4885

“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.