SCHEMBL21156739

SCHEMBL21156739

Cc1ccc(C2(c3ccc(C)cc3)c3cc4c(cc3-c3sc(-c5ccc(/C=C6\C(=O)c7ccccc7C6=C(C#N)C#N)s5)cc32)C(c2ccc(C)cc2)(c2ccc(C)cc2)c2c-4sc3cc(-c4ccc(/C=C5\C(=O)c6ccccc6C5=C(C#N)C#N)s4)ccc23)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL24060711 0.93
SCHEMBL21156751 0.92 ALDH1A1 (0.31) ALDH1A1MAPTTHRBHPGDRECQL
SCHEMBL21156746 0.91 ALDH1A1 (0.30) ALDH1A1MAPTTHRBHPGDRECQL
SCHEMBL21156757 0.89 ALDH1A1 (0.32) ALDH1A1MAPTTHRBHPGDRECQL
SCHEMBL21156246 0.87 ALDH1A1 (0.30) ALDH1A1MAPTTHRBHPGDRECQL
SCHEMBL21775985 0.86 ALDH1A1 (0.33) ALDH1A1MAPTTHRBHPGDRECQL
SCHEMBL24637731 0.85 EGFR (0.38) ALDH1A1MAPTTHRBHPGDRECQL
SCHEMBL21709685 0.84 KMT2A (0.35) ALDH1A1MAPTTHRBHPGDRECQL
SCHEMBL24637735 0.84 ALDH1A1 (0.32) ALDH1A1MAPTTHRBHPGDRECQL
SCHEMBL21156737 0.84 ALDH1A1 (0.31) ALDH1A1MAPTTHRBHPGDRECQL

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
EP-3500577-B1 ORGANIC SEMICONDUCTING COMPOUNDS RAYNERGY TEK INC (TW) 2021-12-01 EP 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 (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-20190214581-A1 ORGANIC SEMICONDUCTING COMPOUNDS OCIAD2, OCIAD1, EED ALDH1A1 2581/4885MAPT 33/4885THRB 4204/4885

“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.