SCHEMBL13726326

SCHEMBL13726326

Cc1cc(C)n(-c2nc(-c3ccccc3)cc(-c3ccccc3O)n2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.65
CYP3A4 P08684 6/20 0.61
ADORA1 P30542 5/20 0.61
MAPT P10636 8/20 0.59
GAA P10253 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
HPGD P15428 2/20 0.59
NPC1 O15118 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.56
CYP1A2 P05177 3/20 0.56
CYP2C9 P11712 3/20 0.56
CYP2C19 P33261 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 1/20 0.56
MAPK10 P53779 1/20 0.56
HSD17B10 Q99714 3/20 0.54
TSHR P16473 2/20 0.54
NPSR1 Q6W5P4 2/20 0.52

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
SCHEMBL15761678 0.89 MAPT (0.71) ADORA2ACYP3A4ADORA1MAPTGAA
SCHEMBL15356688 0.88 MAPT (0.60) ADORA2ACYP3A4ADORA1MAPTGAA
SCHEMBL11185494 0.86 ADORA2A (0.67) ADORA2ACYP3A4ADORA1MAPTGAA
SCHEMBL2810370 0.79 ADORA2A (1.00) ADORA2ACYP3A4ADORA1
SCHEMBL7185311 0.70 HSD17B10 (0.63) ADORA2ACYP3A4ADORA1MAPTGAA
SCHEMBL16210998 0.69 KMT2A (0.61) CYP3A4MAPTGAAHPGDSMN1; SMN2
SCHEMBL27993106 0.69 HSD17B10 (0.51) ADORA2ACYP3A4ADORA1MAPTGAA
SCHEMBL4138642 0.69 HTT (0.68) CYP3A4MAPTGAAL3MBTL1NPC1
SCHEMBL2052349 0.69 KDM4E (0.67) ADORA2AMAPTGAAL3MBTL1HPGD
SCHEMBL14546469 0.69 SMN1; SMN2 (0.65) ADORA2ACYP3A4ADORA1MAPTGAA

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2704578-A2 IMPROVED HONEYBEE REPELLENTS AND USES THEREOF Inscent, Inc. (US) 2014-03-12 EP claimed
WO-2013163454-A2 PSYLLID ATTRACTANTS AND THEIR USES INSCENT, INC. (US) 2013-10-31 WO claimed
WO-2012151556-A2 IMPROVED HONEYBEE REPELLENTS AND USES THEREOF INSCENT, INC. (US) 2012-11-08 WO claimed
US-11963527-B2 Compounds, compositions, and methods for altering insect and organism behavior BASF CORPORATION (US) 2024-04-23 US disclosed
US-20190104732-A1 Compounds, Compositions, and Methods for Altering Insect and Organism Behavior BASF CORPORATION 2019-04-11 US disclosed
US-10098352-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2018-10-16 US disclosed
US-9796676-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2017-10-24 US disclosed
US-20160330960-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2016-11-17 US disclosed
US-20160330960-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2016-11-17 US disclosed
US-20160330960-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2016-11-17 US disclosed
US-9439434-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2016-09-13 US disclosed
WO-2014146145-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR ALTERING INSECT AND ORGANISM BEHAVIOR BAYER CROPSCIENCE LP (US) 2014-09-18 WO disclosed
US-20140155261-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2014-06-05 US disclosed
US-20140155261-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2014-06-05 US disclosed
US-20140155261-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2014-06-05 US disclosed
EP-2704578-A2 IMPROVED HONEYBEE REPELLENTS AND USES THEREOF Inscent, Inc. (US) 2014-03-12 EP disclosed
US-20130287727-A1 Psyllid Attractants and Their Uses INSCENT, INC. (US) 2013-10-31 US disclosed
WO-2013163454-A2 PSYLLID ATTRACTANTS AND THEIR USES INSCENT, INC. (US) 2013-10-31 WO disclosed
WO-2012151556-A2 IMPROVED HONEYBEE REPELLENTS AND USES THEREOF INSCENT, INC. (US) 2012-11-08 WO disclosed
WO-2012151556-A2 IMPROVED HONEYBEE REPELLENTS AND USES THEREOF INSCENT, INC. (US) 2012-11-08 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 (6 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-20160330960-A1 Honeybee Repellents and Uses Thereof ACHE, AHNAK, L3MBTL3 ADORA2A 4064/4885CYP3A4 2778/4885ADORA1 4636/4885
US-20130287727-A1 Psyllid Attractants and Their Uses L3MBTL3, LPAR3, LPXN ADORA2A 1105/4885CYP3A4 4846/4885ADORA1 2107/4885
US-10098352-B2 Honeybee repellents and uses thereof ACHE, AHNAK, L3MBTL3 ADORA2A 4064/4885CYP3A4 2778/4885ADORA1 4636/4885
US-11963527-B2 Compounds, compositions, and methods for altering insect and organism behavior ACHE, DDT, MGLL ADORA2A 3281/4885CYP3A4 875/4885ADORA1 3260/4885
US-20140155261-A1 Honeybee Repellents and Uses Thereof ACHE, AHNAK, L3MBTL3 ADORA2A 4064/4885CYP3A4 2778/4885ADORA1 4636/4885
US-20190104732-A1 Compounds, Compositions, and Methods for Altering Insect and Organism Behavior ACHE, DDT, MGLL ADORA2A 3281/4885CYP3A4 875/4885ADORA1 3260/4885

“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.