SCHEMBL7215662

SCHEMBL7215662

O=C1CCCCc2ccc(OCc3ccccc3)cc21

nearest known ligand 0.94

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 20/20 0.94
MAOA P21397 19/20 0.94
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
NFKB1 P19838 1/20 0.56
GRM5 P41594 1/20 0.56
RAB9A P51151 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL30067289 0.97 MAOB (1.00) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL3501723 0.97 MAOB (1.00) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL7218099 0.93 MAOB (0.82) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL2524800 0.91 MAOB (0.84) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL30353268 0.91 MAOB (0.84) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL3451690 0.89 MAOB (0.94) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL7222729 0.87 MAOB (0.97) MAOBMAOA
SCHEMBL6309072 0.86 MAOB (1.00) MAOBMAOA
SCHEMBL226640 0.86 MAOB (1.00) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL2314862 0.85 MAOB (0.74) MAOBMAOANPC1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106415244-B Reactive marker compounds and uses thereof 中央研究院 2020-04-24 CN disclosed
US-10119972-B2 Reactive labelling compounds and uses thereof ACADEMIA SINICA (TW) 2018-11-06 US disclosed
US-20180011104-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2018-01-11 US disclosed
US-9759726-B2 Reactive labelling compounds and uses thereof ACADEMIA SINICA (TW) 2017-09-12 US disclosed
US-9759726-B2 Reactive labelling compounds and uses thereof ACADEMIA SINICA (TW) 2017-09-12 US disclosed
EP-3129767-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF Academia Sinica (TW) 2017-02-15 EP disclosed
US-9547009-B2 Benzocyclooctyne compounds and uses thereof ACADEMIA SINICA (TW) 2017-01-17 US disclosed
WO-2015148915-A9 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2016-12-22 WO disclosed
US-20150309041-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2015-10-29 US disclosed
WO-2015148915-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2015-10-01 WO disclosed
US-20150241439-A1 BENZOCYCLOOCTYNE COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2015-08-27 US disclosed
EP-2888238-A1 BENZOCYCLOOCTYNE COMPOUNDS AND USES THEREOF Academia Sinica (TW) 2015-07-01 EP disclosed
WO-2014031762-A1 BENZOCYCLOOCTYNE COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2014-02-27 WO disclosed
US-6627651-B1 Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-30 US disclosed
EP-1182195-A1 CYCLIC COMPOUNDS AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-02-27 EP 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 (4 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-20150309041-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF MPI, AADAC, PAICS MAOB 23/4885MAOA 135/4885NPC1 617/4885
US-20180011104-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF MPI, AADAC, PAICS MAOB 20/4885MAOA 135/4885NPC1 688/4885
US-20150241439-A1 BENZOCYCLOOCTYNE COMPOUNDS AND USES THEREOF AADAC, TBCA, SPG11 MAOB 23/4885MAOA 104/4885NPC1 3214/4885
US-10119972-B2 Reactive labelling compounds and uses thereof MPI, AADAC, PAICS MAOB 20/4885MAOA 135/4885NPC1 688/4885

“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.