SCHEMBL9898696

SCHEMBL9898696

COc1ccc2c(O)cc3c(c2c1)-c1ccc(-c2ccccc2)cc1C3C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.40
EDNRA P25101 2/20 0.40
EGFR P00533 1/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
DHODH Q02127 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
BACE1 P56817 2/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
MAPK8 P45983 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL9898751 0.92 EGFR (0.40) EDNRBEDNRAEGFRHDAC8HDAC4
SCHEMBL9898753 0.80 EGFR (0.37) EGFRSMN1; SMN2KDM4E
SCHEMBL1812020 0.77 PTPN1 (0.45) EDNRBEDNRAHDAC8HDAC4HDAC2
SCHEMBL1813707 0.74 MEN1 (0.42) EGFRHDAC8HDAC4HDAC2SMN1; SMN2
SCHEMBL9899175 0.74 SMN1; SMN2 (0.47) HDAC8HDAC4HDAC2DHODHSMN1; SMN2
SCHEMBL9899477 0.73 ESR1 (0.41) EGFRHDAC8HDAC4HDAC2SMN1; SMN2
SCHEMBL9896760 0.72 PLA2G2A (0.53) EGFRDHODHSMN1; SMN2MEN1KMT2A
SCHEMBL1815593 0.72 MEN1 (0.40) HDAC8HDAC4HDAC2SMN1; SMN2MEN1
SCHEMBL9449452 0.70 MAPT (0.49) EDNRBEDNRAHDAC8HDAC4SMN1; SMN2
SCHEMBL1067272 0.70 THRB (0.40) EDNRBEDNRAHDAC8HDAC4MEN1

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 EDNRB 4185/4885EDNRA 2838/4885EGFR 3417/4885

“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.