SCHEMBL13228985

SCHEMBL13228985

Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cc(-c3cccc4ccccc34)c3ccc4c(-c5cccc6ccccc56)ccc5ccc2c3c54)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.36
MAOB P27338 1/20 0.36
CYP1A2 P05177 7/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.36
CYP2A6 P11509 4/20 0.36
TSHR P16473 3/20 0.36
CYP3A4 P08684 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
FYN P06241 2/20 0.34
ACHE P22303 2/20 0.34
AHR P35869 2/20 0.34
ERBB2 P04626 1/20 0.34
THRB P10828 2/20 0.33

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
SCHEMBL13228979 1.00 MAOA (0.36) MAOAMAOBCYP1A2ALDH1A1HPGD
SCHEMBL13229000 0.94 CYP1A2 (0.38) MAOAMAOBCYP1A2ALDH1A1HPGD
SCHEMBL13228960 0.93 CYP1A2 (0.37) MAOAMAOBCYP1A2ALDH1A1HPGD
SCHEMBL13228961 0.93 CYP1A2 (0.37) MAOAMAOBCYP1A2ALDH1A1HPGD
SCHEMBL13228980 0.90 ALDH1A1 (0.31) CYP1A2ALDH1A1HPGDHSD17B10CYP2A6
SCHEMBL13228981 0.87 PSMB5 (0.36)
SCHEMBL13228943 0.87 CYP1A2 (0.31) MAOAMAOBCYP1A2ALDH1A1CYP2A6
SCHEMBL14923385 0.86 PSMB5 (0.34) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL14923384 0.86 MAOA (0.39) MAOAMAOBCYP1A2ALDH1A1HPGD
SCHEMBL13228992 0.85 ALOX5 (0.43) MAOAMAOBATMMAPT

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-8729530-B2 Material for light-emitting device and light-emitting device TORAY INDUSTRIES, INC. (JP) 2014-05-20 US disclosed
US-8729530-B2 Material for light-emitting device and light-emitting device TORAY INDUSTRIES, INC. (JP) 2014-05-20 US disclosed
US-20100163852-A1 Material for light-emitting device and light-emitting device TORAY INDUSTRIES, INC. (JP) 2010-07-01 US disclosed
US-20100163852-A1 Material for light-emitting device and light-emitting device TORAY INDUSTRIES, INC. (JP) 2010-07-01 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-20100163852-A1 Material for light-emitting device and light-emitting device CRY1, CRY2, S100A10 MAOA 2575/4885MAOB 2776/4885CYP1A2 128/4885

“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.