SCHEMBL20127737

SCHEMBL20127737

c1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5oc6ccc7ccccc7c6c5c5ccccc45)c4ccccc34)c3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.48
AHR P35869 3/20 0.48
PAX8 Q06710 2/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
FYN P06241 1/20 0.48
MAPK3 P27361 1/20 0.48
KDM4E B2RXH2 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 4/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL20127335 0.91 ABCG2 (0.48) ABCG2AHRPAX8CYP1A1CYP1A2
SCHEMBL20127329 0.91 ABCG2 (0.50) ABCG2AHRPAX8CYP1A1CYP1A2
SCHEMBL19080015 0.90 ABCG2 (0.47) ABCG2AHRPAX8CYP1A1CYP1A2
SCHEMBL20127736 0.89 ABCG2 (0.40) ABCG2AHRPAX8CYP1A1CYP1A2
SCHEMBL20127332 0.88 ABCG2 (0.48) ABCG2AHRPAX8CYP1A1CYP1A2
SCHEMBL26491845 0.87 ABCG2 (0.43) ABCG2AHRPAX8CYP1A1CYP1A2
SCHEMBL19079932 0.87 ABCG2 (0.49) ABCG2AHRPAX8CYP1A1CYP1A2
SCHEMBL18267009 0.86 AHR (0.43) ABCG2AHRPAX8CYP1A1CYP1A2
SCHEMBL20416524 0.86 AHR (0.38) ABCG2AHRPAX8CYP1A1CYP1A2
SCHEMBL18718002 0.86 ABCG2 (0.46) ABCG2AHRPAX8CYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180208836-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-07-26 US disclosed
US-20180208836-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-07-26 US disclosed
US-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-05-10 US disclosed
US-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-05-10 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-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE RER1, NR0B1, NR2E1 ABCG2 3284/4885AHR 2558/4885PAX8 1540/4885

“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.