SCHEMBL19081968

SCHEMBL19081968

c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)oc5c6ccc6c5sc5ccc7ccccc7c56)cc4)c4ccccc34)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.36
CYP1B1 Q16678 1/20 0.36
ESR2 Q92731 3/20 0.34
ESR1 P03372 2/20 0.33
S1PR4 O95977 6/20 0.33
S1PR5 Q9H228 6/20 0.33
ABCG2 Q9UNQ0 2/20 0.31
PAX8 Q06710 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
F9 P00740 2/20 0.30
NQO1 P15559 1/20 0.30
NQO2 P16083 1/20 0.30
CYP1A2 P05177 1/20 0.30
FYN P06241 1/20 0.30
MAPK3 P27361 1/20 0.30
AHR P35869 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL19082022 0.96 CYP1A1 (0.35) CYP1A1CYP1B1ESR2ESR1S1PR4
SCHEMBL19081987 0.95 CYP1A1 (0.36) CYP1A1CYP1B1ESR2ESR1S1PR4
SCHEMBL19081973 0.90 CYP1A1 (0.37) CYP1A1CYP1B1ESR2ESR1S1PR4
SCHEMBL19081933 0.89 ESR2 (0.33) ESR2ESR1
SCHEMBL17944808 0.89 ESR2 (0.40) CYP1A1CYP1B1ESR2ESR1S1PR4
SCHEMBL19081807 0.89 CYP1A1 (0.38) CYP1A1CYP1B1ESR2ESR1S1PR4
SCHEMBL19082018 0.88 CYP1A1 (0.37) CYP1A1CYP1B1ESR2ESR1S1PR4
SCHEMBL19081838 0.87 CYP1A1 (0.35) CYP1A1CYP1B1ESR2ESR1S1PR4
SCHEMBL19081966 0.86 CYP1A1 (0.36) CYP1A1CYP1B1ESR2ESR1S1PR4
SCHEMBL19081817 0.86 ABCG2 (0.38) CYP1A1CYP1B1ESR2ESR1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10553800-B2 Condensed cyclic compound and an organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-04 US disclosed
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-06 US disclosed
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-06 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-10553800-B2 Condensed cyclic compound and an organic light-emitting device including the same CRY1, CRY2, CCNT1 CYP1A1 184/4885CYP1B1 260/4885ESR2 542/4885
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 CYP1A1 184/4885CYP1B1 260/4885ESR2 542/4885

“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.