SCHEMBL19081936

SCHEMBL19081936

c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cc6sc7ccccc7c6c6c5oc5c7ccccc7ccc56)cc4)c4ccccc34)cccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CYP1A1 P04798 11/20 0.34
CYP1B1 Q16678 11/20 0.34
CYP1A2 P05177 10/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C19 P33261 2/20 0.34
PRKDC P78527 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PDE5A O76074 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
ABCB1 P08183 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL19082062 0.94 S1PR5 (0.37) CA12CA1CA2CA9CYP1A1
SCHEMBL19082027 0.88 CYP1A1 (0.39) CYP1A1CYP1B1CYP1A2CYP3A4TSHR
SCHEMBL19081815 0.87 CYP1A1 (0.42) CYP1A1CYP1B1CYP1A2CYP3A4TSHR
SCHEMBL19081881 0.85 CYP1A1 (0.38) CYP1A1CYP1B1CYP1A2CYP3A4TSHR
SCHEMBL19081938 0.82 ESR2 (0.34) CA12CA1CA2CA9CYP1A1
SCHEMBL19076682 0.82 BRDT (0.33) CA12CA1CA2CA9CYP1A2
SCHEMBL17944309 0.81 CA12 (0.39) CA12CA1CA2CA9TSHR
SCHEMBL19081540 0.81 TDP1 (0.36) CYP1A1CYP1B1CYP1A2CYP3A4TSHR
SCHEMBL19082274 0.81 CYP1A1 (0.36) CA12CA1CA2CA9CYP1A1
SCHEMBL19076693 0.81 BRDT (0.32) CA12CA1CA2CA9CYP1A1

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 CA12 1240/4885CA1 1455/4885CA2 3066/4885
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 CA12 1240/4885CA1 1455/4885CA2 3066/4885

“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.