SCHEMBL21870646

SCHEMBL21870646

CCCC1=Cc2cccc3cccc(c23)C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 3/20 0.53
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 7/20 0.47
CES2 O00748 1/20 0.47
BCHE P06276 1/20 0.47
CES1 P23141 1/20 0.47
MCL1 Q07820 1/20 0.47
S100A4 P26447 1/20 0.43
CASP1 P29466 3/20 0.42
PABPC1 P11940 3/20 0.42
DNMT1 P26358 2/20 0.42
CYP3A4 P08684 1/20 0.42
CASP7 P55210 1/20 0.42
CYP1B1 Q16678 1/20 0.41
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
MPI P34949 2/20 0.38

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
SCHEMBL7195529 0.88 MAPK1 (0.44) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL15463120 0.86 MEN1 (0.56) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL20888734 0.83 MEN1 (0.49) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL18456446 0.82 CDC25B (0.46) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL20889036 0.80 MEN1 (0.46) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL19415805 0.80 MEN1 (0.46) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL21871162 0.80 MEN1 (0.49) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL12482939 0.80 MEN1 (0.49) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL12483152 0.80 MEN1 (0.49) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL20889035 0.80 MEN1 (0.49) MEN1KMT2AMAPTMAPK1ALDH1A1

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-11186545-B2 Phenalene-1-one-containing photosensitizer composition, phenalene-1-one compound and the use thereof TRIOPTOTEC GMBH (DE) 2021-11-30 US disclosed
US-20200087259-A1 PHENALENE-1-ONE-CONTAINING PHOTOSENSITIZER COMPOSITION, PHENALENE-1-ONE COMPOUND AND THE USE THEREOF TRIOPTOTEC GMBH (DE) 2020-03-19 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-20200087259-A1 PHENALENE-1-ONE-CONTAINING PHOTOSENSITIZER COMPOSITION, PHENALENE-1-ONE COMPOUND AND THE USE THEREOF PYCR1, CRY1, PPOX MEN1 177/4885KMT2A 1375/4885MAPT 112/4885
US-11186545-B2 Phenalene-1-one-containing photosensitizer composition, phenalene-1-one compound and the use thereof PYCR1, CRY1, PPOX MEN1 177/4885KMT2A 1375/4885MAPT 112/4885

“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.