SCHEMBL8514796

SCHEMBL8514796

OB(O)c1ccc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
MGLL Q99685 2/20 0.48
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
ENPP2 Q13822 2/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 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
SCHEMBL29391035 0.84 CA1 (0.49) CA1CA2MGLLCRHBPCRHR2
SCHEMBL2475284 0.84 CA1 (0.50) CA1CA2MGLLCRHBPCRHR2
SCHEMBL11028195 0.84 CA1 (0.49) CA1CA2MGLLCRHBPCRHR2
SCHEMBL2472528 0.83 CA1 (0.49) CA1CA2MGLLCRHBPCRHR2
SCHEMBL30990837 0.83 MGLL (0.55) CA1CA2MGLLCRHBPCRHR2
SCHEMBL1093668 0.83 MGLL (0.55) CA1CA2MGLLCRHBPCRHR2
SCHEMBL20591241 0.83 CA2 (0.71) CA1CA2MGLLENPP2CA4
SCHEMBL30918780 0.83 CA2 (0.71) CA1CA2MGLLENPP2CA4
SCHEMBL12214801 0.82 CA1 (0.44) CA1CA2MGLLCRHBPCRHR2
SCHEMBL431998 0.81 CA1 (0.52) CA1CA2MGLLENPP2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107778309-B Quinoline derivative and application thereof 北京鼎材科技有限公司 2020-10-16 CN disclosed
US-9748496-B2 Nitrogenated heterocyclic derivative, electron-transporting material for organic electroluminescent elements, and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2017-08-29 US disclosed
US-9748496-B2 Nitrogenated heterocyclic derivative, electron-transporting material for organic electroluminescent elements, and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2017-08-29 US disclosed
EP-2524913-B1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO (JP) 2017-07-26 EP disclosed
EP-3192789-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME Idemitsu Kosan Co., Ltd. (JP) 2017-07-19 EP disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-20130306955-A1 NITROGENATED HETEROCYCLIC DERIVATIVE, ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-11-21 US disclosed
EP-2524913-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME Idemitsu Kosan Co., Ltd. (JP) 2012-11-21 EP disclosed
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-31 US disclosed
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-31 US disclosed
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-31 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-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME H1-2, L1CAM, H1-0 CA1 1776/4885CA2 2067/4885MGLL 4446/4885

“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.