SCHEMBL9898751

SCHEMBL9898751

COC(=O)C1c2cc(-c3ccccc3)ccc2-c2c1cc(O)c1ccc(OC)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.40
MAPK8 P45983 1/20 0.38
DHODH Q02127 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
KCNA5 P22460 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
EDNRB P24530 2/20 0.37
EDNRA P25101 2/20 0.37
KCNH2 Q12809 1/20 0.37
PLA2G2A P14555 1/20 0.36
BACE1 P56817 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL9898696 0.92 EDNRB (0.40) EGFRMAPK8DHODHHDAC8KCNA5
SCHEMBL1812020 0.76 PTPN1 (0.45) MAPK8HDAC8KCNA5HDAC4HDAC2
SCHEMBL9899054 0.74 EIF4A1 (0.33) EGFRMAPK8KCNA5EDNRBEDNRA
SCHEMBL9896760 0.73 PLA2G2A (0.53) EGFRMAPK8DHODHKCNA5KCNH2
SCHEMBL1813707 0.73 MEN1 (0.42) EGFRHDAC8HDAC4HDAC2BACE1
SCHEMBL9899175 0.73 SMN1; SMN2 (0.47) MAPK8DHODHHDAC8KCNA5HDAC4
SCHEMBL9898753 0.72 EGFR (0.37) EGFR
SCHEMBL1815926 0.72 NR4A2 (0.32) MEN1KMT2A
SCHEMBL9899477 0.71 ESR1 (0.41) EGFRHDAC8HDAC4HDAC2BACE1
SCHEMBL1815593 0.70 MEN1 (0.40) MAPK8HDAC8KCNA5HDAC4HDAC2

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 EGFR 3417/4885MAPK8 2332/4885DHODH 352/4885

“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.