SCHEMBL21037653

SCHEMBL21037653

Cc1ccccc1-n1c2ccccc2c2cc(-c3ccccc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.45
ALDH1A1 P00352 5/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
NPY5R Q15761 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NOTUM Q6P988 1/20 0.38
RAB9A P51151 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.37
FTO Q9C0B1 1/20 0.37
DNM1 Q05193 1/20 0.36
NR4A2 P43354 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
SCHEMBL21037665 0.95 NOTUM (0.41) TSPOALDH1A1TSHRL3MBTL1LMNA
SCHEMBL21037662 0.92 ALDH1A1 (0.39) TSPOALDH1A1TSHRL3MBTL1LMNA
SCHEMBL26528601 0.92 NOTUM (0.39) TSPOALDH1A1TSHRL3MBTL1LMNA
SCHEMBL25809743 0.91 RXRA (0.42) ALDH1A1TSHRL3MBTL1LMNAKDM4E
SCHEMBL15435756 0.89 L3MBTL1 (0.46) TSPOALDH1A1TSHRL3MBTL1LMNA
SCHEMBL14029463 0.89 JUN (0.38) TSPOALDH1A1TSHRL3MBTL1LMNA
SCHEMBL13238009 0.88 SMN1; SMN2 (0.42) TSPOALDH1A1TSHRL3MBTL1LMNA
SCHEMBL25936862 0.88 TSPO (0.41) TSPOALDH1A1L3MBTL1NPY5RKDM4E
SCHEMBL21276363 0.88 TSHR (0.39) TSPOALDH1A1TSHRL3MBTL1LMNA
SCHEMBL261904 0.88 L3MBTL1 (0.42) TSPOALDH1A1TSHRL3MBTL1LMNA

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 TSPO 1270/4885ALDH1A1 321/4885TSHR 2113/4885
US-20200303654-A1 MATERIALS FOR ELECTRONIC DEVICES PNMT, DDT, COMT TSPO 1270/4885ALDH1A1 321/4885TSHR 2113/4885

“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.