SCHEMBL20127331

SCHEMBL20127331

c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cc4oc5ccc6ccccc6c5c4c4ccccc34)c3ccccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.42
ABCG2 Q9UNQ0 4/20 0.42
PAX8 Q06710 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
FYN P06241 1/20 0.42
MAPK3 P27361 1/20 0.42
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL26404437 0.92 AHR (0.42) AHRABCG2PAX8CYP1A1CYP1A2
SCHEMBL20127340 0.90 AHR (0.40) AHRABCG2PAX8CYP1A1CYP1A2
SCHEMBL20127337 0.90 ABCG2 (0.46) AHRABCG2PAX8CYP1A1CYP1A2
SCHEMBL20127732 0.90 AHR (0.40) AHRABCG2PAX8CYP1A1CYP1A2
SCHEMBL22541877 0.89 AHR (0.42) AHRABCG2PAX8CYP1A1CYP1A2
SCHEMBL18267009 0.89 AHR (0.43) AHRABCG2PAX8CYP1A1CYP1A2
SCHEMBL24469289 0.88 AHR (0.39) AHRABCG2PAX8CYP1A1CYP1A2
SCHEMBL20127341 0.88 ABCG2 (0.41) AHRABCG2PAX8CYP1A1CYP1A2
SCHEMBL19080064 0.88 ABCG2 (0.38) AHRABCG2PAX8CYP1A1CYP1A2
SCHEMBL20416524 0.88 AHR (0.38) AHRABCG2PAX8CYP1A1CYP1A2

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 AHR 2558/4885ABCG2 3284/4885PAX8 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.