SCHEMBL9963802

SCHEMBL9963802

Cc1c2ccccc2c(C)c2cc(CN(C)C)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TAAR1 Q96RJ0 2/20 0.47
HTR7 P34969 4/20 0.44
HRH3 Q9Y5N1 1/20 0.43
TNKS O95271 2/20 0.41
CYP3A4 P08684 3/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TNNI3 P19429 1/20 0.40
TNNT2 P45379 1/20 0.40
TNNC1 P63316 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR1E P28566 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL13669039 0.94 HRH3 (0.48) TSHRALDH1A1TAAR1HTR7HRH3
SCHEMBL13921921 0.86 KMT2A (0.40) TSHRALDH1A1TAAR1HTR7MEN1
SCHEMBL1070847 0.78 KIF11 (0.53) TSHRALDH1A1CYP3A4MAPTHSD17B10
SCHEMBL31601116 0.78 KIF11 (0.53) TSHRALDH1A1CYP3A4MAPTHSD17B10
SCHEMBL20296903 0.76 PGR (0.41) TSHRALDH1A1CYP3A4MAPTHSD17B10
SCHEMBL12852124 0.75 MEN1 (0.61) TSHRALDH1A1TAAR1CYP3A4MAPT
SCHEMBL19533733 0.75 HPGD (0.59) TSHRALDH1A1TAAR1HTR7MAPT
SCHEMBL19533734 0.75 GPR3 (0.53) TSHRALDH1A1TAAR1MAPTMEN1
SCHEMBL20251352 0.73 CYP3A4 (0.47) TSHRHTR7CYP3A4MAPTHTR1A
SCHEMBL10357103 0.73 CYP1A2 (0.55) TSHRALDH1A1TAAR1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9257654-B2 Anthracene derivative, light-emitting element, light-emitting device, and electronic appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-02-09 US disclosed
US-8741449-B2 Anthracene derivative, light-emitting material, material for light-emitting element, composition for coating, light-emitting element, light-emitting device, and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-06-03 US disclosed
US-20140081031-A1 Anthracene Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-03-20 US disclosed
US-20120241728-A1 Anthracene Derivative, Light-Emitting Material, Material for Light-Emitting Element, Composition for Coating, Light-Emitting Element, Light-Emitting Device, and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-09-27 US disclosed
US-8202632-B2 Anthracene derivative, light-emitting material, material for light-emitting element, composition for coating, light-emitting element, light-emitting device, and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-06-19 US disclosed
US-20090267497-A1 Anthracene Derivative, Light-Emitting Material, Material for Light-Emitting Element, Composition for Coating, Light-Emitting Element, Light-Emitting Device, and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-10-29 US disclosed
US-20090267498-A1 Anthracene Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-10-29 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 (3 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-20090267498-A1 Anthracene Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Appliance AP2A1, ABCE1, SLC35E1 TSHR 2129/4885ALDH1A1 297/4885TAAR1 1416/4885
US-20090267497-A1 Anthracene Derivative, Light-Emitting Material, Material for Light-Emitting Element, Composition for Coating, Light-Emitting Element, Light-Emitting Device, and Electronic Device CRY1, CCNE2, CRY2 TSHR 4592/4885ALDH1A1 332/4885TAAR1 872/4885
US-20120241728-A1 Anthracene Derivative, Light-Emitting Material, Material for Light-Emitting Element, Composition for Coating, Light-Emitting Element, Light-Emitting Device, and Electronic Device CRY1, CCNE2, CRY2 TSHR 4592/4885ALDH1A1 332/4885TAAR1 872/4885

“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.