SCHEMBL20127600

SCHEMBL20127600

c1ccc2cc(-c3ccc4cc(-c5c6ccccc6c(-c6ccc7c(c6)oc6ccc8ccccc8c67)c6ccccc56)ccc4c3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.43
CYP1B1 Q16678 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ABCG2 Q9UNQ0 7/20 0.41
PAX8 Q06710 2/20 0.41
AHR P35869 2/20 0.41
CYP1A2 P05177 2/20 0.41
FYN P06241 1/20 0.41
MAPK3 P27361 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
HCRTR1 O43613 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 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
SCHEMBL17944000 0.98 CYP1A1 (0.43) CYP1A1CYP1B1TDP1L3MBTL1ABCG2
SCHEMBL17943900 0.97 CYP1A1 (0.41) CYP1A1CYP1B1TDP1L3MBTL1ABCG2
SCHEMBL10122698 0.97 CYP1A1 (0.41) CYP1A1CYP1B1TDP1L3MBTL1ABCG2
SCHEMBL10122704 0.97 CYP1A1 (0.41) CYP1A1CYP1B1TDP1L3MBTL1ABCG2
SCHEMBL20127338 0.97 CYP1A1 (0.41) CYP1A1CYP1B1TDP1L3MBTL1ABCG2
SCHEMBL20127390 0.97 CYP1A1 (0.40) CYP1A1CYP1B1TDP1L3MBTL1ABCG2
SCHEMBL17931917 0.96 ABCG2 (0.42) CYP1A1CYP1B1TDP1L3MBTL1ABCG2
SCHEMBL17944046 0.96 ABCG2 (0.42) CYP1A1CYP1B1TDP1L3MBTL1ABCG2
SCHEMBL17944027 0.94 ABCG2 (0.46) CYP1A1CYP1B1TDP1L3MBTL1ABCG2
SCHEMBL17931971 0.94 ABCG2 (0.46) CYP1A1CYP1B1TDP1L3MBTL1ABCG2

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 CYP1A1 399/4885CYP1B1 341/4885TDP1 3427/4885

“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.