SCHEMBL20230697

SCHEMBL20230697

CC1(C)c2ccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2Oc2cc(C3c4ccccc4C(C)(C)c4ccccc43)ccc21

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ADORA2B P29275 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2A P28223 1/20 0.32
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
RXRA P19793 1/20 0.30

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
SCHEMBL20230577 0.87 MEN1 (0.41) ADORA2AADORA1ADORA3MEN1ALDH1A1
SCHEMBL20230576 0.86 MEN1 (0.39) ADORA2AADORA1ADORA3MEN1ALDH1A1
SCHEMBL20230701 0.81 MEN1 (0.38) ADORA2AADORA1ALOX15MEN1ALDH1A1
SCHEMBL20230621 0.81 MEN1 (0.41) ADORA2AADORA1ADORA3MEN1ALDH1A1
SCHEMBL20277283 0.81 HTR2A (0.38) ADORA2AADORA1ADORA3ALOX15TSHR
SCHEMBL20230578 0.81 MEN1 (0.44) ADORA2AALOX15TSHRMEN1ALDH1A1
SCHEMBL24293999 0.80 RARB (0.34) ADORA2AADORA1ADORA3ALOX15TSHR
SCHEMBL20230619 0.79 MEN1 (0.39) ADORA2AADORA1ADORA3ALOX15MEN1
SCHEMBL22871818 0.79
SCHEMBL25138497 0.79 HTR2A (0.45) ADORA2AADORA1ADORA3ALOX15TSHR

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 ADORA2A 4680/4885ADORA1 3711/4885ADORA3 4651/4885

“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.