SCHEMBL20230698

SCHEMBL20230698

CC1(C)c2ccccc2C(c2ccc3c(c2)C(C)(C)c2cc(-c4cc(-c5cccnc5)nc(-c5cccnc5)c4)ccc2N3c2ccccc2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.44
PDK2 Q15119 2/20 0.34
BACE1 P56817 7/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 3/20 0.32
CYP17A1 P05093 2/20 0.32
CYP1A2 P05177 2/20 0.32
KDM1A O60341 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
DHODH Q02127 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 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
SCHEMBL22871815 0.85 CYP19A1 (0.49) CYP19A1PDK2BACE1EGLN1CYP11B1
SCHEMBL20230702 0.82 CYP19A1 (0.45) CYP19A1PDK2BACE1PIM1PIM2
SCHEMBL13231558 0.80 HTR2A (0.41) EGLN1PIM1CYP1A2CYP3A4CYP2C9
SCHEMBL17804309 0.80 MEN1 (0.37) CYP19A1BACE1EGLN1MEN1MAPT
SCHEMBL15084750 0.79 PDK2 (0.40) CYP19A1PDK2BACE1EGLN1CYP11B1
SCHEMBL20230684 0.77 CYP19A1 (0.40) CYP19A1PDK2BACE1EGLN1CYP1A2
SCHEMBL21973898 0.77 CYP19A1 (0.54) CYP19A1PDK2EGLN1CYP11B1CYP11B2
SCHEMBL21510469 0.77 CYP19A1 (0.48) CYP19A1PDK2BACE1EGLN1CYP11B1
SCHEMBL20230706 0.77 CYP19A1 (0.41) CYP19A1PDK2BACE1PIM1PIM2
SCHEMBL15084800 0.76 KMT2A (0.38) CYP19A1PDK2EGLN1KDM4EMEN1

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-20180159050-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-07 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 (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-20180159050-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNE2, CCNT1 CYP19A1 305/4885PDK2 1964/4885BACE1 724/4885

“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.