SCHEMBL9899016

SCHEMBL9899016

COC(=O)c1cc(OC(C)=O)c2cc(-c3ccccc3)ccc2c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.50
CFD P00746 1/20 0.43
AXL P30530 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 2/20 0.42
EGFR P00533 1/20 0.41
KDM4E B2RXH2 4/20 0.41
BACE1 P56817 1/20 0.40
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
ACLY P53396 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HMGB1 P09429 1/20 0.39
HPGD P15428 1/20 0.39
GGT1 P19440 1/20 0.39

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
SCHEMBL9899201 0.92 NR4A2 (0.46) NR4A2CFDAXLTDP1MAPT
SCHEMBL1010947 0.91 DHODH (0.48) NR4A2CFDKDM4EACLYTSHR
SCHEMBL9934162 0.90 NR4A2 (0.46) NR4A2TDP1MAPTMEN1KMT2A
SCHEMBL1009498 0.90 TSHR (0.48) NR4A2CFDTDP1MAPTKDM4E
SCHEMBL1011786 0.89 DHODH (0.45) NR4A2MAPTKDM4ELMNAGAA
SCHEMBL3151462 0.88 MAPK8 (0.47) NR4A2CFDGAAALDH1A1SLC6A3
SCHEMBL8510685 0.88 PLA2G2A (0.51) NR4A2MAPTKDM4EBACE1ALDH1A1
SCHEMBL31435276 0.86 KDM4E (0.46) MAPTKDM4ELMNAGAATSHR
SCHEMBL1332988 0.86 KDM4E (0.46) MAPTKDM4ELMNAGAATSHR
SCHEMBL9899615 0.86 PLA2G2A (0.49) NR4A2TDP1MAPTKDM4EBACE1

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 NR4A2 1023/4885CFD 3057/4885AXL 1870/4885

“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.