SCHEMBL8512288

SCHEMBL8512288

CO/C=C/c1ccccc1-c1ccc(Br)c2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
PKM P14618 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
CYP1B1 Q16678 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
LY96 Q9Y6Y9 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL8512290 1.00 CYP1A2 (0.34) CYP1A2PKMHDAC8CYP1B1RXFP1
SCHEMBL1933126 0.84 ALDH1A1 (0.33) LMNAALDH1A1POLB
SCHEMBL12522809 0.84 ALDH1A1 (0.33) LMNAALDH1A1POLB
SCHEMBL16168770 0.82 PKM (0.30) PKM
SCHEMBL9611882 0.81 CYP1A2 (0.37) CYP1A2PKMCYP1B1RXFP1SLC22A12
SCHEMBL17755056 0.81 CRHBP (0.41) CYP1A2HDAC8LMNAL3MBTL1ALDH1A1
SCHEMBL23759476 0.80 BACE1 (0.45) CYP1A2HDAC8ALDH1A1
SCHEMBL9261193 0.75 LY96 (0.49) LY96ALDH1A1POLB
SCHEMBL30749709 0.75 LY96 (0.49) LY96ALDH1A1POLB
SCHEMBL9261189 0.75 LY96 (0.49) LY96ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47654-E1 Organic electroluminescence device IDEMITSU KOASN CO., LTD. (JP) 2019-10-22 US disclosed
US-9837615-B2 Nitrogen-containing heterocyclic derivative, organic electroluminescence element material using same, and organic electroluminescence element and electronic device using same IDEMITSU KOSAN CO., LTD. (JP) 2017-12-05 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-9614159-B2 Benzophenanthrene derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2017-04-04 US disclosed
US-20150255726-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL USING SAME, AND ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-09-10 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
EP-2525425-B1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO (JP) 2014-10-15 EP disclosed
US-8803420-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-08-12 US disclosed
US-8507106-B2 Benzophenanthrene derivative and organic electroluminescent device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2013-08-13 US disclosed
US-8507106-B2 Benzophenanthrene derivative and organic electroluminescent device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2013-08-13 US disclosed
EP-2525425-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Idemitsu Kosan Co., Ltd. (JP) 2012-11-21 EP 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-20120153268-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20120153268-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 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
US-20100320452-A1 BENZOPHENANTHRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. 2010-12-23 US disclosed
US-20100320452-A1 BENZOPHENANTHRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. 2010-12-23 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-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME H1-2, L1CAM, H1-0 CYP1A2 443/4885PKM 4030/4885HDAC8 2574/4885
US-20100320452-A1 BENZOPHENANTHRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE EMPLOYING THE SAME NRAS, RSU1, RAP1A CYP1A2 1816/4885PKM 4029/4885HDAC8 3053/4885
US-20150255726-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL USING SAME, AND ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE USING SAME ODC1, DDC, ESD CYP1A2 911/4885PKM 2904/4885HDAC8 2540/4885

“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.