SCHEMBL7248564

SCHEMBL7248564

O=Cc1ccc2c(c1)C(=O)c1ccccc1CO2

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
ALDH1A1 P00352 4/20 0.64
RAB9A P51151 2/20 0.64
SMN1; SMN2 Q16637 3/20 0.59
KDM4E B2RXH2 1/20 0.59
NPC1 O15118 1/20 0.59
GAA P10253 1/20 0.59
HPGD P15428 1/20 0.59
ALOX12 P18054 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
KMT2A Q03164 1/20 0.52
MAOA P21397 1/20 0.47
MAOB P27338 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
SCHEMBL7346929 0.88 AKR1B1 (0.56) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL13870592 0.83 ALDH1A1 (0.45) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL9749938 0.81 MAPT (0.59) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL9749948 0.81 MAPT (0.59) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL86392 0.78 MAPT (0.67) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL29375440 0.78 MAPT (0.67) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL7820863 0.78 ALDH1A1 (0.68) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL8797878 0.78 MAPT (0.68) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL655741 0.78 MAPT (1.00) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL8797223 0.78 MAPT (0.68) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524864-B2 Methods of treating sleep disorders HYPNION, INC. (US) 2009-04-28 US disclosed
US-7524864-B2 Methods of treating sleep disorders HYPNION, INC. (US) 2009-04-28 US disclosed
US-7482460-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2009-01-27 US disclosed
US-7482460-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2009-01-27 US disclosed
US-7411069-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-08-12 US disclosed
US-7411069-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-08-12 US disclosed
US-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed
US-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed
US-7326721-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-02-05 US disclosed
US-7326721-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-02-05 US disclosed
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed
US-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed
US-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed
US-20030216571-A1 Antiallergens; antiinflammatory agents UBE INDUSTRIES, LTD. (JP) 2003-11-20 US disclosed
EP-1254897-A1 TRICYCLIC COMPOUNDS Ube Industries, Ltd. (JP) 2002-11-06 EP disclosed
EP-0069810-B1 NOVEL DIBENZOXEPINS, THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THE USE OF DIBENZOXEPINS IN THE TREATMENT OF ALLERGIC CONDITIONS MERCK & CO. INC. (US) 1986-12-03 EP disclosed
EP-0188802-A2 Dibenz (b,e) oxepin derivative and antiallergic agent KYOWA HAKKO KOGYO CO., LTD. (JP) 1986-07-30 EP disclosed
US-4282365-A Dibenz[b,e]oxepin compounds MERCK & CO., INC. (US) 1981-08-04 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-20030216571-A1 Antiallergens; antiinflammatory agents CYSLTR2, CYSLTR1, LTC4S MAPT 4812/4885ALDH1A1 921/4885RAB9A 4766/4885

“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.