SCHEMBL3774265

SCHEMBL3774265

O=Cc1ccc2c3ccccc3c3ccccc3c2c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.59
ALDH1A1 P00352 7/20 0.48
CYP2A6 P11509 3/20 0.48
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS2 P35354 1/20 0.44
PTGER4 P35408 1/20 0.44
IP6K1 Q92551 1/20 0.42
PADI4 Q9UM07 1/20 0.41
TSHR P16473 1/20 0.40
TTR P02766 1/20 0.39
UNG P13051 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IMPDH2 P12268 1/20 0.39

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
SCHEMBL19186626 1.00 KIF11 (0.59) KIF11ALDH1A1CYP2A6KDM4ENPC1
SCHEMBL10484322 0.85 HPRT1 (0.56) KIF11ALDH1A1CYP2A6NPC1RAB9A
SCHEMBL30811866 0.85 HPRT1 (0.56) KIF11ALDH1A1CYP2A6NPC1RAB9A
SCHEMBL20296883 0.82 KIF11 (0.52) KIF11ALDH1A1CYP2A6KDM4ENPC1
SCHEMBL1532149 0.82 HDAC3 (0.56) KIF11ALDH1A1CYP2A6KDM4ENPC1
SCHEMBL10023271 0.82 KIF11 (0.47) KIF11ALDH1A1CYP2A6KDM4EIP6K1
SCHEMBL10484075 0.81 HPRT1 (0.56) KIF11ALDH1A1CYP2A6NPC1RAB9A
SCHEMBL30881993 0.80 KIF11 (0.42) KIF11ALDH1A1KDM4ENPC1MEN1
SCHEMBL5617799 0.79 ALDH1A1 (0.56) KIF11ALDH1A1CYP2A6KDM4ENPC1
SCHEMBL13941186 0.79 TRIM24 (0.54) KIF11ALDH1A1CYP2A6KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220416172-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-12-29 US disclosed
CN-104603107-B Novel aromatic heterocyclic derivative, material for organic electroluminescent element, material solution for organic electroluminescent element, and organic electroluminescent element 出光兴产株式会社 2020-11-17 CN disclosed
US-10633252-B2 Surface-modified inorganic substance, method for manufacturing same, resin composition, thermally conductive material, and device FUJIFILM CORPORATION (JP) 2020-04-28 US disclosed
CN-108516960-A A kind of glyoxaline compound and its organic luminescent device 长春海谱润斯科技有限公司 2018-09-11 CN disclosed
US-9809672-B2 Aromatic resins for underlayers ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2017-11-07 US disclosed
US-20170073453-A1 AROMATIC RESINS FOR UNDERLAYERS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2017-03-16 US disclosed
US-9540476-B2 Aromatic resins for underlayers ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2017-01-10 US disclosed
US-20150214491-A1 NOVEL AROMATIC HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL SOLUTION, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-07-30 US disclosed
US-20150214491-A1 NOVEL AROMATIC HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL SOLUTION, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-07-30 US disclosed
US-20150214491-A1 NOVEL AROMATIC HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL SOLUTION, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-07-30 US disclosed
US-8236867-B2 Polymer complex having channels and method for chemically modifying inner surfaces of channels of polymer complex THE UNIVERSITY OF TOKYO (JP) 2012-08-07 US disclosed
US-8236867-B2 Polymer complex having channels and method for chemically modifying inner surfaces of channels of polymer complex THE UNIVERSITY OF TOKYO (JP) 2012-08-07 US disclosed
US-20100324249-A1 POLYMER COMPLEX HAVING CHANNELS AND METHOD FOR CHEMICALLY MODIFYING INNER SURFACES OF CHANNELS OF POLYMER COMPLEX TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2010-12-23 US disclosed
US-20100324249-A1 POLYMER COMPLEX HAVING CHANNELS AND METHOD FOR CHEMICALLY MODIFYING INNER SURFACES OF CHANNELS OF POLYMER COMPLEX TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2010-12-23 US disclosed
US-20100324249-A1 POLYMER COMPLEX HAVING CHANNELS AND METHOD FOR CHEMICALLY MODIFYING INNER SURFACES OF CHANNELS OF POLYMER COMPLEX TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2010-12-23 US disclosed
WO-1999065961-A1 HOLE INJECTOR POLYMERS THOMSON-CSF (FR) 1999-12-23 WO disclosed
US-4717729-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1988-01-05 US disclosed
EP-0125702-B1 POLYCYCLIC AROMATIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1987-08-12 EP disclosed
US-4551282-A ANTITUMOR AGENT BURROUGHS WELLCOME CO. (US) 1985-11-05 US disclosed
EP-0125702-A2 Polycyclic aromatic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1984-11-21 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 (2 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-20220416172-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES NDUFS5, KCNJ2, EHMT2 KIF11 2646/4885ALDH1A1 524/4885CYP2A6 3913/4885
US-20150214491-A1 NOVEL AROMATIC HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL SOLUTION, AND ORGANIC ELECTROLUMINESCENT ELEMENT SLCO4C1, SLCO2A1, SLCO1A2 KIF11 2224/4885ALDH1A1 1546/4885CYP2A6 3191/4885

“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.