SCHEMBL1198340

SCHEMBL1198340

COc1cccc(Sc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.55
BCL2 P10415 4/20 0.55
P4HB P07237 1/20 0.51
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
RAB9A P51151 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
MAOB P27338 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
EDNRA P25101 2/20 0.44
MAOA P21397 1/20 0.43

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
SCHEMBL12957364 0.84 BCL2 (0.69) MCL1BCL2MAPTMEN1KMT2A
SCHEMBL7905103 0.82 BCL2 (0.70) MCL1BCL2MAPTMEN1KMT2A
SCHEMBL1038715 0.80 BCL2 (0.80) MCL1BCL2MAPTMEN1KMT2A
SCHEMBL10709610 0.80 MTNR1A (0.57) P4HBALDH1A1MTNR1AMTNR1BEDNRA
SCHEMBL31425668 0.80 ACHE (0.54) P4HBALDH1A1MTNR1AMTNR1BEDNRA
SCHEMBL3164341 0.80 ACHE (0.54) P4HBALDH1A1MTNR1AMTNR1BEDNRA
SCHEMBL17250526 0.79 P4HB (0.49) P4HBMAPTMEN1KMT2ATDP1
SCHEMBL9298179 0.79 P4HB (0.46) P4HBMAPTMEN1KMT2AALDH1A1
SCHEMBL9298207 0.79 P4HB (0.52) MCL1BCL2P4HBMAPTMEN1
SCHEMBL13163776 0.78 EDNRA (0.54) MAPTMEN1KMT2AMAOBALDH1A1

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-7892388-B2 Photocurable resin composition containing anthraquinone derivative MITSUI CHEMICALS, INC. (JP) 2011-02-22 US disclosed
US-20090173438-A1 PHOTOCURABLE RESIN COMPOSITION CONTAINING ANTHRAQUINONE DERIVATIVE MITSUI CHEMICALS, INC. (JP) 2009-07-09 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-20090173438-A1 PHOTOCURABLE RESIN COMPOSITION CONTAINING ANTHRAQUINONE DERIVATIVE AAAS, ALDH7A1, ALDH1A1 MCL1 3347/4885BCL2 3296/4885P4HB 2104/4885

“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.