SCHEMBL9898233

SCHEMBL9898233

COc1ccc2c(O)cc3c(c2c1)-c1ccccc1C3(C)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GAA P10253 2/20 0.45
PDK2 Q15119 6/20 0.43
PARP1 P09874 2/20 0.38
HSP90AA1 P07900 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 2/20 0.36
AR P10275 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
POLB P06746 1/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3A P49840 1/20 0.34

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
SCHEMBL9932428 0.88 MEN1 (0.43) MEN1KMT2AGAAPDK2HSP90AA1
SCHEMBL10292862 0.85 PDK2 (0.40) MEN1KMT2AGAAPDK2PARP1
SCHEMBL21111101 0.84 PDK2 (0.42) MEN1KMT2AGAAPDK2PARP1
SCHEMBL10018176 0.84 MEN1 (0.44) MEN1KMT2AGAAPDK2HSP90AA1
SCHEMBL25954206 0.83 PDK2 (0.38) MEN1KMT2APDK2PARP1KDM4E
SCHEMBL8513625 0.83 MEN1 (0.43) MEN1KMT2AGAAPDK2HSP90AA1
SCHEMBL10018183 0.82 GAA (0.43) MEN1KMT2AGAAPDK2PARP1
SCHEMBL10262039 0.80 PDK2 (0.36) MEN1KMT2AGAAPDK2PARP1
SCHEMBL3947184 0.79 KMT2A (0.42) MEN1KMT2AGAAPDK2PARP1
SCHEMBL12424597 0.78 PDK2 (0.42) MEN1KMT2AGAAPDK2HSP90AA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9028728-B2 Photochromic materials that include indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US disclosed
WO-2013086248-A1 PHOTOCHROMIC MATERIALS THAT INCLUDE INDENO-FUSED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 2013-06-13 WO disclosed
US-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans TRANSITIONS OPTICAL INC. (US) 2012-06-14 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-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans NQO1, INTS6, IPO4 MEN1 4483/4885KMT2A 1529/4885GAA 2984/4885

“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.