SCHEMBL21037665

SCHEMBL21037665

Cc1ccccc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSPO P30536 1/20 0.39
NR4A2 P43354 2/20 0.38
TNKS2 Q9H2K2 1/20 0.38
TYMS P04818 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL26528601 0.97 NOTUM (0.39) NOTUMTSHRALDH1A1LMNAL3MBTL1
SCHEMBL21037653 0.95 TSPO (0.45) NOTUMTSHRALDH1A1LMNAL3MBTL1
SCHEMBL21037662 0.94 ALDH1A1 (0.39) NOTUMTSHRALDH1A1LMNAL3MBTL1
SCHEMBL26528612 0.87 TSHR (0.38) NOTUMTSHRALDH1A1LMNAL3MBTL1
SCHEMBL12754464 0.86 TSPO (0.39) TSPONR4A2TNKS2
SCHEMBL3361952 0.86 RXFP1 (0.48) ALDH1A1L3MBTL1TSPORXFP1
SCHEMBL25809743 0.85 RXRA (0.42) NOTUMTSHRALDH1A1LMNAL3MBTL1
SCHEMBL3363024 0.85 CLK4 (0.41) TSHRALDH1A1LMNA
SCHEMBL14029463 0.84 JUN (0.38) TSHRALDH1A1LMNAL3MBTL1TSPO
SCHEMBL21276363 0.84 TSHR (0.39) TSHRALDH1A1LMNAL3MBTL1TSPO

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-11832513-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2023-11-28 US disclosed
US-11832513-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2023-11-28 US disclosed
EP-4242286-A2 MATERIALS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2023-09-13 EP disclosed
EP-3714022-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-07 EP disclosed
US-20200303654-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-09-24 US disclosed
WO-2019101719-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-05-31 WO 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 (2 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-11832513-B2 Materials for electronic devices PNMT, DDT, COMT NOTUM 1124/4885TSHR 2113/4885ALDH1A1 321/4885
US-20200303654-A1 MATERIALS FOR ELECTRONIC DEVICES PNMT, DDT, COMT NOTUM 1124/4885TSHR 2113/4885ALDH1A1 321/4885

“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.