SCHEMBL20230748

SCHEMBL20230748

CC1(C)c2ccc(-c3cccc(-c4cccnc4)n3)cc2Oc2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.38
BACE1 P56817 2/20 0.37
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 4/20 0.36
CYP19A1 P11511 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
KARS1 Q15046 1/20 0.35
TNKS O95271 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
PDK2 Q15119 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
CTSD P07339 1/20 0.33
KDR P35968 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
SCHEMBL22871812 0.94 BACE1 (0.39) CYP2A6BACE1CYP11B1CYP11B2CYP19A1
SCHEMBL20230667 0.89 CYP2A6 (0.41) CYP2A6CYP11B1CYP11B2CYP19A1EGLN1
SCHEMBL22871833 0.86 BACE1 (0.36) CYP2A6BACE1CYP11B1CYP11B2CYP19A1
SCHEMBL20230684 0.85 CYP19A1 (0.40) CYP2A6BACE1CYP19A1EGLN1KARS1
SCHEMBL20230739 0.83 CYP19A1 (0.44) CYP2A6BACE1CYP11B1CYP11B2CYP19A1
SCHEMBL22871857 0.83 CYP2A6 (0.38) CYP2A6CYP11B1CYP11B2CYP19A1EGLN1
SCHEMBL20230575 0.81 ADORA3 (0.32) MAPTALDH1A1
SCHEMBL21510469 0.81 CYP19A1 (0.48) CYP2A6BACE1CYP11B1CYP11B2CYP19A1
SCHEMBL20230745 0.81 MEN1 (0.37) NPC1RAB9ALMNAMAPTPOLB
SCHEMBL20230722 0.80 NPC1 (0.44) CYP2A6BACE1CYP19A1KARS1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10892423-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2021-01-12 US disclosed
US-20180159050-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-07 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-20180159050-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNE2, CCNT1 CYP2A6 3284/4885BACE1 724/4885CYP11B1 1257/4885
US-10892423-B2 Condensed cyclic compound and organic light-emitting device including the same CRY1, CCNE2, CCNT1 CYP2A6 3284/4885BACE1 724/4885CYP11B1 1257/4885

“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.