SCHEMBL9611883

SCHEMBL9611883

COc1ccccc1-c1ccc(Br)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
PTPRC P08575 1/20 0.45
PTPN1 P18031 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 6/20 0.43
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
HTR7 P34969 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
ADORA2A P29274 1/20 0.41
PKM P14618 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
SCHEMBL16282203 0.81 CRHR1 (0.44) ALDH1A1MAPTCYP3A4TSHRCYP2C19
SCHEMBL18000003 0.81 CRHR1 (0.44) ALDH1A1MAPTCYP3A4TSHRCYP2C19
SCHEMBL4429261 0.79 CA1 (0.52) APPCA12CA1CA2CA4
SCHEMBL30719614 0.79 IDO1 (0.57) CA12CA1CA2CA4CA7
SCHEMBL1891196 0.79 IDO1 (0.57) CA12CA1CA2CA4CA7
SCHEMBL29559535 0.79 CA1 (0.52) APPCA12CA1CA2CA4
SCHEMBL13631978 0.78 CYP1A2 (0.47) PTPRCALDH1A1MAPTMEN1KMT2A
SCHEMBL29429633 0.78 CA1 (0.71) APPCA12CA1CA2CA4
SCHEMBL301996 0.78 CA1 (0.71) APPCA12CA1CA2CA4
SCHEMBL29788337 0.78 CA1 (0.71) APPCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-8803420-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-08-12 US disclosed
US-20130285029-A1 BENZOPHENANTHRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-10-31 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

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-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME H1-2, L1CAM, H1-0 APP 3217/4885PTPRC 4315/4885PTPN1 3213/4885
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 APP 1963/4885PTPRC 3847/4885PTPN1 3974/4885

“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.