SCHEMBL7124946

SCHEMBL7124946

C#CC(O)(c1ccc(N(CC)CC)cc1)c1ccc(N(CC)CC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 2/20 0.44
PSMD14 O00487 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NR1H2 P55055 6/20 0.42
NR1H3 Q13133 6/20 0.42
ALDH3A1 P30838 1/20 0.41
ALDH1A3 P47895 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSP90AA1 P07900 2/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 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
SCHEMBL1793818 0.93 NR1H2 (0.48) ALDH1A1L3MBTL1TSHRPSMD14CYP3A4
SCHEMBL31493129 0.91 NR1H2 (0.46) ALDH1A1L3MBTL1TSHRPSMD14CYP3A4
SCHEMBL9533063 0.84 ALDH1A1 (0.42) ALDH1A1L3MBTL1TSHRPSMD14CYP3A4
SCHEMBL19140594 0.81 CNR2 (0.42) ALDH1A1TSHRMAPK1NR1H2NR1H3
SCHEMBL1409015 0.79 SLC2A1 (0.59) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL25954205 0.79 SLC2A1 (0.59) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL12374438 0.78 SLC2A1 (0.58) ALDH1A1L3MBTL1TSHRPSMD14CYP3A4
SCHEMBL15984367 0.76 ALDH1A1 (0.50) ALDH1A1L3MBTL1TSHRPSMD14CYP3A4
SCHEMBL26808251 0.74 ALDH1A1 (0.41) ALDH1A1L3MBTL1TSHRCYP3A4TDP1
SCHEMBL11476112 0.74 ALDH1A1 (0.52) ALDH1A1L3MBTL1TSHRPSMD14CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11485812-B2 Pyranoquinazoline derivatives and naphthopyran derivatives KANTO KAGAKU KABUSHIKI KAISHA (JP) 2022-11-01 US disclosed
US-20200131193-A1 PYRANOQUINAZOLINE DERIVATIVES AND NAPHTHOPYRAN DERIVATIVES KANTO KAGAKU KABUSHIKI KAISHA (JP) 2020-04-30 US disclosed
US-20200131193-A1 PYRANOQUINAZOLINE DERIVATIVES AND NAPHTHOPYRAN DERIVATIVES KANTO KAGAKU KABUSHIKI KAISHA (JP) 2020-04-30 US disclosed
CN-110896637-A Pyrano quinazoline derivatives and naphthopyran derivatives 关东化学株式会社 2020-03-20 CN disclosed
US-6608215-B2 Photochromic ophthalmic or sun protection lenses, glass paneling VISION-EASE LENS, INC. 2003-08-19 US disclosed
US-20030092918-A1 Oxygen-containing heterocyclic fused naphthopyrans VISION-EASE LENS, INC. 2003-05-15 US disclosed
WO-2003025638-A1 OXYGEN-CONTAINING HETEROCYCLIC FUSED NAPHTHOPYRANS VISION-EASE LENS, INC. (US) 2003-03-27 WO disclosed
WO-1999031081-A1 PH SENSITIVE PHOTOCHROMIC DYES JAMES ROBINSON LIMITED (GB) 1999-06-24 WO 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 (3 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-11485812-B2 Pyranoquinazoline derivatives and naphthopyran derivatives PPOX, TYR, NQO1 ALDH1A1 1055/4885L3MBTL1 3541/4885TSHR 4370/4885
US-20030092918-A1 Oxygen-containing heterocyclic fused naphthopyrans NQO1, NFE2L2, NDUFV2 ALDH1A1 202/4885L3MBTL1 4097/4885TSHR 4648/4885
US-20200131193-A1 PYRANOQUINAZOLINE DERIVATIVES AND NAPHTHOPYRAN DERIVATIVES PPOX, TYR, NQO1 ALDH1A1 1152/4885L3MBTL1 3534/4885TSHR 4413/4885

“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.