SCHEMBL18079829

SCHEMBL18079829

CCN(CC)Cc1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ TSHR P16473 3/20 0.41
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2D6 P10635 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ BLM P54132 1/20 0.37
▸ ICMT O60725 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ APEX1 P27695 1/20 0.36

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
SCHEMBL26884428 0.92 ADORA2A (0.38) ADORA2AADORA1TSHRMAPTKDM4E
SCHEMBL26884444 0.92 ADORA2A (0.38) ADORA2AADORA1TSHRMAPTKDM4E
SCHEMBL18079825 0.85 ADORA2A (0.42) ADORA2AADORA1TSHRMAPTKDM4E
SCHEMBL26884426 0.85 PDK2 (0.38) ADORA2AADORA1TSHRALDH1A1ICMT
SCHEMBL26884443 0.85 PDK2 (0.38) ADORA2AADORA1TSHRALDH1A1ICMT
SCHEMBL18079822 0.83 PDK2 (0.43) ADORA2AADORA1TSHRMAPTKDM4E
SCHEMBL26884440 0.82 HTR7 (0.38) TSHRKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL26884425 0.82 HTR7 (0.38) TSHRKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL16544644 0.82 CYP1A2 (0.43) TSHRMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL16544656 0.81 CYP1A2 (0.42) TSHRMAPTKDM4EHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373941-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-11-23 — — US disclosed
US-9896621-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-20 — — US disclosed
US-20170155050-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-01 — — US disclosed
US-20160260901-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-09-08 — — 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-20230373941-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP2E1, GPX1, ERCC1 ADORA2A 3318/4885ADORA1 3478/4885TSHR 4210/4885

“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.

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