SCHEMBL21155801

SCHEMBL21155801

CC1(C)c2cc3c(cc2-c2sc4cc(/C=C5\C(=O)c6ccccc6C5=C(C#N)C#N)sc4c21)C(C)(C)c1c-3sc2cc(/C=C3\C(=O)c4ccccc4C3=C(C#N)C#N)sc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL22382787 0.98 KMT2A (0.34) KMT2AALDH1A1HPGDMAPTTHRB
SCHEMBL22382921 0.95 KMT2A (0.32) KMT2AALDH1A1HPGDMAPTTHRB
SCHEMBL22382788 0.92 KMT2A (0.34) KMT2AALDH1A1HPGDMAPTTHRB
SCHEMBL22382913 0.89
SCHEMBL22382919 0.87 KMT2A (0.32) KMT2AALDH1A1HPGDMAPTTHRB
SCHEMBL23862409 0.86 KMT2A (0.39) KMT2AALDH1A1HPGDMAPTTHRB
SCHEMBL20040160 0.85 KMT2A (0.33) KMT2AALDH1A1HPGDMAPTTHRB
SCHEMBL22382781 0.85 ALDH1A1 (0.31) KMT2AALDH1A1HPGDMAPTTHRB
SCHEMBL23515596 0.85 KMT2A (0.37) KMT2AALDH1A1HPGDMAPTTHRB
SCHEMBL23515584 0.84 ALDH1A1 (0.40) KMT2AALDH1A1HPGDMAPTTHRB

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
EP-3481834-B1 ORGANIC SEMICONDUCTING COMPOUNDS RAYNERGY TEK INC (TW) 2023-10-18 EP disclosed
EP-3500577-B1 ORGANIC SEMICONDUCTING COMPOUNDS RAYNERGY TEK INC (TW) 2021-12-01 EP disclosed
US-10759775-B2 Organic semiconducting compounds MERCK PATENT GMBH (DE) 2020-09-01 US disclosed
US-20190214581-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2019-07-11 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 (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-20190214581-A1 ORGANIC SEMICONDUCTING COMPOUNDS OCIAD2, OCIAD1, EED KMT2A 721/4885ALDH1A1 2581/4885HPGD 1628/4885
US-10759775-B2 Organic semiconducting compounds OCIAD2, OCIAD1, OSTC KMT2A 1050/4885ALDH1A1 3327/4885HPGD 1363/4885

“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.