SCHEMBL20052632

SCHEMBL20052632

CC(C)c1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.54
KMT2A Q03164 10/20 0.54
MAPT P10636 6/20 0.54
ALDH1A1 P00352 6/20 0.54
HPGD P15428 6/20 0.54
KDM4E B2RXH2 3/20 0.54
LMNA P02545 2/20 0.54
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
GLA P06280 1/20 0.50
NTSR1 P30989 1/20 0.49
ADORA1 P30542 4/20 0.46
ADORA2A P29274 3/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL20152517 0.95 MEN1 (0.57) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL19979661 0.91 RXRA (0.54) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL20291104 0.87 RXRA (0.60) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL20152526 0.87 RXRA (0.60) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL20152519 0.86 RXRA (0.50) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL25900263 0.86 RXRA (0.58) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL20203657 0.84 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL20152520 0.84 MEN1 (0.65) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL20152518 0.84 MEN1 (0.65) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL19866416 0.81 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3378864-B1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-04-22 EP disclosed
US-10580996-B2 Polycyclic compound and organic light-emitting element comprising same LG CHEM, LTD. (KR) 2020-03-03 US disclosed
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
US-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-17 US disclosed
US-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-17 US disclosed
US-9947878-B2 Organic light-emitting device LG CHEM, LTD. (KR) 2018-04-17 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 (3 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-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY2, NR2E3, CRY1 MEN1 396/4885KMT2A 145/4885MAPT 530/4885
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME DCX, TERT, TELO2 MEN1 2052/4885KMT2A 884/4885MAPT 1276/4885
US-10580996-B2 Polycyclic compound and organic light-emitting element comprising same CRY2, NR2E3, CRY1 MEN1 396/4885KMT2A 145/4885MAPT 530/4885

“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.