SCHEMBL21076103

SCHEMBL21076103

CC(C)c1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)nc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.47
KMT2A Q03164 9/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
ADORA1 P30542 4/20 0.45
ADORA2A P29274 3/20 0.45
HPGD P15428 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
DHODH Q02127 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2B P29275 1/20 0.45
CYP19A1 P11511 1/20 0.43

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
SCHEMBL9704476 0.96 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL24795576 0.92 DHODH (0.49) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL22260534 0.90 CYP19A1 (0.46) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL11996121 0.87 KMT2A (0.49) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL4351608 0.85 DHODH (0.54) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL20152519 0.83 RXRA (0.50) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL11996119 0.83 CCR1 (0.50) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL11996107 0.83 CYP19A1 (0.65) ALDH1A1RAB9AKDM4EADORA1DHODH
SCHEMBL23341638 0.82 ADORA1 (0.43) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL13203120 0.80 MEN1 (0.62) MEN1KMT2AALDH1A1MAPTRAB9A

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
US-20210135119-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2021-05-06 US disclosed
US-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2020-06-25 US disclosed
US-20190300508-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-10-03 US disclosed
US-20190173020-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-06-06 US disclosed
US-20190173017-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-06-06 US disclosed
US-20190173019-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-06-06 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 (6 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-20190173019-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, ALDH1A2, CYBA MEN1 2756/4885KMT2A 4204/4885ALDH1A1 60/4885
US-20190300508-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 MEN1 3119/4885KMT2A 4132/4885ALDH1A1 242/4885
US-20210135119-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 MEN1 3119/4885KMT2A 4132/4885ALDH1A1 242/4885
US-20190173017-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, ALDH1A2, CYBA MEN1 2756/4885KMT2A 4204/4885ALDH1A1 60/4885
US-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES NDUFV3, NDUFV2, CRY2 MEN1 2193/4885KMT2A 4367/4885ALDH1A1 96/4885
US-20190173020-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, ALDH1A2, CYBA MEN1 2756/4885KMT2A 4204/4885ALDH1A1 60/4885

“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.