SCHEMBL262834

SCHEMBL262834

CN(C)Cc1ccc2[nH]c3ccccc3c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.53
MAPT P10636 3/20 0.53
CYP3A4 P08684 2/20 0.53
AHR P35869 1/20 0.52
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 5/20 0.49
HSD17B10 Q99714 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 2/20 0.49
GPR3 P46089 1/20 0.48
PARP1 P09874 2/20 0.47
TSHR P16473 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
TNKS O95271 1/20 0.44
HCRTR1 O43613 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAAR1 Q96RJ0 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
SCHEMBL1734811 0.80 AHR (0.57) KIF11MAPTAHRALDH1A1KDM4E
SCHEMBL4812375 0.80 KIF11 (0.79) KIF11MAPTAHRALDH1A1KDM4E
SCHEMBL21419880 0.80 AHR (0.48) KIF11MAPTAHRALDH1A1KDM4E
SCHEMBL19768708 0.78 AHR (0.59) KIF11MAPTAHRALDH1A1KDM4E
SCHEMBL12997524 0.77 KIF11 (0.59) KIF11MAPTAHRALDH1A1KDM4E
SCHEMBL31522706 0.77 KIF11 (0.59) KIF11MAPTAHRALDH1A1KDM4E
SCHEMBL30196772 0.77 AHR (0.57) KIF11MAPTAHRALDH1A1KDM4E
SCHEMBL22089502 0.77 AHR (0.57) KIF11MAPTAHRALDH1A1KDM4E
SCHEMBL5810239 0.77 AHR (0.57) KIF11MAPTAHRALDH1A1KDM4E
SCHEMBL27835129 0.77 AHR (0.57) KIF11MAPTAHRALDH1A1KDM4E

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-8134147-B2 Organic compound, anthracene derivative, and light-emitting element, light-emitting device, and electronic device using anthracene derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-03-13 US disclosed
US-20100200847-A1 ORGANIC COMPOUND, ANTHRACENE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE USING ANTHRACENE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-08-12 US disclosed
US-7723722-B2 Organic compound, anthracene derivative, and light-emitting element, light-emitting device, and electronic device using anthracene derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-05-25 US disclosed
US-20080242871-A1 N-(9-Aryl-10-anthracenylarylene)carbazole derivatives that are substituted with aditional aromatic amine groups including additional carbzaole rings; light-emitting element that emits blue light at high luminous efficiency and is capable of operation for a long time. SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-10-02 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-20080242871-A1 N-(9-Aryl-10-anthracenylarylene)carbazole derivatives that are substituted with aditional aromatic amine groups including additional carbzaole rings; light-emitting element that emits blue light at high luminous efficiency and is capable of operation for a long time. CYP1A1, AADAT, AADAC KIF11 2940/4885MAPT 2304/4885CYP3A4 20/4885

“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.