SCHEMBL12203293

SCHEMBL12203293

Cc1ccc(-c2ccc3c(ccc4oc5ccc6cc(-c7ccc(C)c8ccccc78)ccc6c5c43)c2)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.39
ABCG2 Q9UNQ0 5/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
MCL1 Q07820 1/20 0.36
PAX8 Q06710 2/20 0.36
CYP1A1 P04798 1/20 0.36
FYN P06241 1/20 0.36
MAPK3 P27361 1/20 0.36
AHR P35869 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2A6 P11509 1/20 0.36

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
SCHEMBL5746859 0.85 CYP1A2 (0.50) CYP1A2ESR1ESR2MCL1FYN
SCHEMBL9917223 0.80 AHR (0.47) CYP1A2AHRNPC1RAB9AALDH1A1
SCHEMBL9917210 0.80 MAPT (0.47) CYP1A2MCL1AHRNPC1RAB9A
SCHEMBL10122850 0.80 CYP11B1 (0.42) CYP1A2ABCG2PAX8CYP1A1FYN
SCHEMBL10028086 0.79 CYP1A2 (0.37) CYP1A2ABCG2MCL1PAX8CYP1A1
SCHEMBL12203406 0.78 ALOX5 (0.42) CYP1A2ESR1MCL1NPC1RAB9A
SCHEMBL12203279 0.77 ALDH1A1 (0.39) CYP1A2ESR1MCL1NPC1RAB9A
SCHEMBL21335452 0.77 CYP1A2 (0.45) CYP1A2ABCG2PAX8CYP1A1FYN
SCHEMBL5750638 0.77 CYP1A2 (0.52) CYP1A2ESR1ESR2MCL1FYN
SCHEMBL9917187 0.74 MAPT (0.45) CYP1A2AHRNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946984-B2 Electroluminescent device BASF SE (DE) 2015-02-03 US disclosed
US-8946984-B2 Electroluminescent device BASF SE (DE) 2015-02-03 US disclosed
US-20140217335-A1 Electroluminescent Device BASF SE (DE) 2014-08-07 US disclosed
US-20140217335-A1 Electroluminescent Device BASF SE (DE) 2014-08-07 US disclosed
US-8735610-B2 Electroluminescent device BASF SE (DE) 2014-05-27 US disclosed
US-8735610-B2 Electroluminescent device BASF SE (DE) 2014-05-27 US disclosed
US-20110248217-A1 ELECTROLUMINESCENT DEVICE UDC IRELAND LIMITED (IE) 2011-10-13 US disclosed
US-20110248217-A1 ELECTROLUMINESCENT DEVICE UDC IRELAND LIMITED (IE) 2011-10-13 US disclosed
US-7989644-B2 Electroluminescent device BASF SE (DE) 2011-08-02 US disclosed
US-7989644-B2 Electroluminescent device BASF SE (DE) 2011-08-02 US disclosed
EP-1885818-B1 ELECTROLUMINESCENT DEVICE BASF SE (DE) 2010-01-13 EP disclosed
US-20090131673-A1 Electroluminescent Device UDC IRELAND LIMITED (IE) 2009-05-21 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-20110248217-A1 ELECTROLUMINESCENT DEVICE DDT, CD99, EED CYP1A2 1925/4885ABCG2 1549/4885ESR1 399/4885
US-20090131673-A1 Electroluminescent Device DDT, CD99, EED CYP1A2 1925/4885ABCG2 1549/4885ESR1 399/4885

“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.