SCHEMBL19081938

SCHEMBL19081938

c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cc6oc7c8ccccc8ccc7c6c6sc7ccccc7c56)cc4)c4ccccc34)cccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ESR1 P03372 1/20 0.34
ALOX5 P09917 1/20 0.33
CYP1A1 P04798 8/20 0.33
CYP1B1 Q16678 8/20 0.33
IKBKB O14920 1/20 0.33
PRKDC P78527 2/20 0.32
CYP1A2 P05177 7/20 0.32
PSMD14 O00487 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
XDH P47989 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL19082063 0.94 CYP1A1 (0.36) ESR2CA12CA1CA2CA9
SCHEMBL19081901 0.93 CYP1A1 (0.38) ESR2ESR1CYP1A1CYP1B1IKBKB
SCHEMBL19081796 0.92 ESR2 (0.37) ESR2ESR1CYP1A1CYP1B1IKBKB
SCHEMBL19081829 0.89 CYP1A1 (0.38) ESR2ESR1CYP1A1CYP1B1IKBKB
SCHEMBL19081782 0.89 CYP1A1 (0.39) ESR2ESR1CYP1A1CYP1B1IKBKB
SCHEMBL19081921 0.88 CYP1A1 (0.37) ESR2ESR1CYP1A1CYP1B1IKBKB
SCHEMBL19081846 0.86 CYP1A1 (0.38) ESR2ESR1CYP1A1CYP1B1IKBKB
SCHEMBL19082239 0.85 CA12 (0.38) CA12CA1CA2CA9ALOX5
SCHEMBL19081923 0.84 ALOX5 (0.33) ESR2ESR1ALOX5CYP1A1CYP1B1
SCHEMBL17945706 0.84 CA12 (0.40) CA12CA1CA2CA9ALOX5

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 ESR2 542/4885CA12 1240/4885CA1 1455/4885
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 ESR2 542/4885CA12 1240/4885CA1 1455/4885

“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.