SCHEMBL7679676

SCHEMBL7679676

Cc1cc(C=O)cc(C)c1OCCCCCl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.46
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL8612271 0.91 SRC (0.50) SRCMEN1KMT2AALDH1A1MAPK1
SCHEMBL5351709 0.87 SRC (0.53) SRCMEN1KMT2AALDH1A1MAPK1
SCHEMBL145729 0.84 SRC (0.49) SRCMEN1KMT2AALDH1A1MAPK1
SCHEMBL8035224 0.84 THRA (0.51) SRCMEN1KMT2AALDH1A1MAPT
SCHEMBL5144244 0.84 SRC (0.47) SRCMEN1KMT2AALDH1A1MAPK1
SCHEMBL378363 0.82 SRC (0.50) SRCMEN1KMT2AALDH1A1MAPK1
SCHEMBL7164671 0.80 TSHR (0.45) SRCMEN1KMT2AALDH1A1KDM4E
SCHEMBL147201 0.80 SRC (0.51) SRCMEN1KMT2AALDH1A1MAPK1
SCHEMBL347037 0.80 SRC (0.51) SRCMEN1KMT2AALDH1A1MAPK1
SCHEMBL2651217 0.80 SRC (0.47) SRCMEN1KMT2AALDH1A1MAPK1

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 1547/4885MEN1 3732/4885KMT2A 35/4885

“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.