SCHEMBL25639404

SCHEMBL25639404

c1ccc(N(c2ccccc2)c2cc(B(c3cccc4ccccc34)c3cccc4ccccc34)c3ccc4c(B(c5cccc6ccccc56)c5cccc6ccccc56)cc(N(c5ccccc5)c5ccccc5)c5ccc2c3c45)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.35
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL25639379 1.00 SIGMAR1 (0.35) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25639378 0.82 CA1 (0.40)
SCHEMBL25639403 0.82 CA1 (0.40)
SCHEMBL25639400 0.80
SCHEMBL25639376 0.80
SCHEMBL17790819 0.78 CYP1A2 (0.34) CYP1A2
SCHEMBL2326965 0.78 ALDH1A1 (0.39) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17880337 0.77 ALDH1A1 (0.30) CYP1A2
SCHEMBL1249647 0.77 SIGMAR1 (0.47) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2701507 0.77 SIGMAR1 (0.47) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9

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-20230183270-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-15 US disclosed
US-20230183270-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-15 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-20230183270-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OR10J3, VIM, CCNT1 SIGMAR1 626/4885CYP1A2 348/4885CYP3A4 765/4885

“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.