SCHEMBL21369915

SCHEMBL21369915

c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5ccc6ccc7cccnc7c6n5)c4)c3c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.33
TOP1 P11387 4/20 0.33
KDM4E B2RXH2 3/20 0.32
LMNA P02545 3/20 0.32
TSHR P16473 2/20 0.32
CCR1 P32246 2/20 0.32
CCR5 P51681 2/20 0.32
CCR8 P51685 2/20 0.32
MMP2 P08253 2/20 0.32
MAPT P10636 2/20 0.32
GMNN O75496 1/20 0.32
TP53 P04637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
MMP8 P22894 1/20 0.32
THPO P40225 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
SCHEMBL21369824 0.95 CCR1 (0.36) METAP2TOP1KDM4ELMNATSHR
SCHEMBL21370176 0.92 CYP11B1 (0.39) METAP2TOP1KDM4ELMNATSHR
SCHEMBL21369827 0.92 KDM4E (0.35) KDM4EMAPTHSP90AA1L3MBTL1ATM
SCHEMBL21369825 0.88 KDM4E (0.37) KDM4EMAPTL3MBTL1ATM
SCHEMBL23156488 0.87 TOP1 (0.33) METAP2TOP1KDM4ELMNATSHR
SCHEMBL19486642 0.87 TOP1 (0.34) TOP1KDM4ELMNATSHRCCR1
SCHEMBL19486570 0.86 TOP1 (0.36) TOP1KDM4ELMNATSHRCCR1
SCHEMBL21369913 0.86 CYP11B1 (0.36) KDM4EMAPTTDP1ALDH1A1L3MBTL1
SCHEMBL17789517 0.85 KDM4E (0.33) METAP2TOP1KDM4ETSHRALDH1A1
SCHEMBL17789490 0.84 CCR1 (0.33) METAP2TOP1KDM4ELMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190288215-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME SOULBRAIN CO., LTD. (KR) 2019-09-19 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-20190288215-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CYP1A1, CYP1B1 METAP2 3271/4885TOP1 1475/4885KDM4E 2473/4885

“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.