SCHEMBL3281012

SCHEMBL3281012

CN(C)c1cc2ccccc2c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.47
NEK2 P51955 1/20 0.47
LIMK1 P53667 1/20 0.47
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
TRPM4 Q8TD43 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 3/20 0.46
HIF1A Q16665 1/20 0.46
CYP1B1 Q16678 1/20 0.46
EP300 Q09472 1/20 0.45
KAT2B Q92831 1/20 0.45
KAT8 Q9H7Z6 1/20 0.45
HPRT1 P00492 2/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
CYP2A6 P11509 2/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL5344059 0.87 ALDH1A1 (0.48) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL10060952 0.83 CHEK1 (0.52) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL19754367 0.82 CHEK1 (0.47) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL9888945 0.81 ALDH1A1 (0.50) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL12048720 0.79 TRPM4 (0.41) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL16494278 0.78 CYP2A6 (0.57) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL31016039 0.78 HPRT1 (0.58) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL8585842 0.78 HPRT1 (0.58) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL179750 0.78 TOP2A (0.45) ALDH1A1HSD17B10HIF1ACYP1B1MAPT
SCHEMBL12258286 0.78 SIGMAR1 (0.50) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023151394-A1 FLUORENE DERIVATIVE AND USE THEREOF 上海八亿时空先进材料有限公司 2023-08-17 WO disclosed
US-20140197378-A1 DEUTERATED COMPOUNDS FOR LUMINESCENT APPLICATIONS E I DU PONT DE NEMOURS AND COMPANY (US) 2014-07-17 US disclosed
US-20110147717-A1 DEUTERATED COMPOUNDS FOR LUMINESCENT APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-23 US disclosed
US-7777043-B2 Compound, charge transporting material and organic electroluminescent element MITSUBISHI CHEMICAL CORPORATION (JP) 2010-08-17 US disclosed
US-7777043-B2 Compound, charge transporting material and organic electroluminescent element MITSUBISHI CHEMICAL CORPORATION (JP) 2010-08-17 US disclosed
US-7709547-B2 Ink composition, inkjet recording method, printed material, production method of a planographic printing plate and planographic printing plate FUJIFILM CORPORATION (JP) 2010-05-04 US disclosed
EP-1787809-B1 Ink composition, inkjet recording method, printed material, production method of a planographic printing plate and planographic printing plate FUJIFILM CORP (JP) 2008-08-13 EP disclosed
US-7250569-B2 Dissolving or dispersing nanomaterials in solvents by mixing the nanomaterials with an electron donor compound as a solubilizer NEW YORK UNIVERSITY SCHOOL OF MEDICINE (US) 2007-07-31 US disclosed
US-7250569-B2 Dissolving or dispersing nanomaterials in solvents by mixing the nanomaterials with an electron donor compound as a solubilizer NEW YORK UNIVERSITY SCHOOL OF MEDICINE (US) 2007-07-31 US disclosed
US-20070115326-A1 Ink composition, inkjet recording method, printed material, production method of a planographic printing plate and planographic printing plate FUJIFILM CORPORATION 2007-05-24 US disclosed
EP-1787809-A1 Ink composition, inkjet recording method, printed material, production method of a planographic printing plate and planographic printing plate Fujifilm Corporation (JP) 2007-05-23 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 (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-20110147717-A1 DEUTERATED COMPOUNDS FOR LUMINESCENT APPLICATIONS HDHD5, DDT, DLD CHEK1 2231/4885NEK2 583/4885LIMK1 518/4885

“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.