SCHEMBL7686524

SCHEMBL7686524

O=Cc1ccccc1OCCCCCl

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.74
HPGD P15428 1/20 0.74
HTT P42858 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
PTGDR2 Q9Y5Y4 1/20 0.56
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
RAD52 P43351 1/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 3/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48
SRC P12931 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL28847201 0.98 ALDH1A1 (0.71) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL7378757 0.98 ALDH1A1 (0.71) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL4161467 0.94 ALDH1A1 (0.77) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL8372730 0.92 ALDH1A1 (0.87) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL1888128 0.90 ALDH1A1 (0.77) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL7656765 0.90 ALDH1A1 (0.83) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL13305834 0.90 ALDH1A1 (0.83) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL21828406 0.90 ALDH1A1 (0.83) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL5805320 0.88 ALDH1A1 (0.87) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL7928970 0.86 ALDH1A1 (0.77) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2

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 4 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
US-4861897-A 2-Aryloxyalkylaminobenzoxazoles and 2-aryloxyalkylaminobenzothiazoles ORTHO PHARMACEUTICAL CORPORATION (US) 1989-08-29 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 (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 ALDH1A1 1270/4885HPGD 1723/4885HTT 1021/4885

“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.