SCHEMBL12836995

SCHEMBL12836995

CCN(CC)c1ccc2c(-c3ccccc3C)c3ccc(=N)cc-3oc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.45
▸ ATM Q13315 5/20 0.45
▸ HPGD P15428 5/20 0.45
▸ GLA P06280 4/20 0.45
▸ L3MBTL1 Q9Y468 4/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ IGLV6-57 P01721 3/20 0.45
▸ CYP3A4 P08684 3/20 0.45
▸ CASP1 P29466 3/20 0.45
▸ CASP7 P55210 3/20 0.45
▸ HIF1A Q16665 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ ABCB1 P08183 1/20 0.45
▸ MEN1 O00255 7/20 0.45
▸ KMT2A Q03164 7/20 0.45
▸ USP2 O75604 3/20 0.45
▸ BLM P54132 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ PPARG P37231 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL13179036 0.84 ABCB1 (0.56) ALDH1A1ATMHPGDL3MBTL1HSD17B10
SCHEMBL15462762 0.84 MEN1 (0.43) ALDH1A1ATMHPGDGLAL3MBTL1
SCHEMBL14901855 0.84 MEN1 (0.64) ALDH1A1ATMHPGDGLAL3MBTL1
SCHEMBL13820288 0.83 ABCB1 (0.59) ALDH1A1ATMHPGDGLAL3MBTL1
SCHEMBL10040697 0.82 ABCB1 (0.71) ALDH1A1ATMHPGDGLAL3MBTL1
SCHEMBL12747272 0.80 ABCB1 (0.66) ALDH1A1ATMHPGDGLAL3MBTL1
SCHEMBL14263967 0.80 ABCB1 (0.51) ALDH1A1ATMHPGDGLAL3MBTL1
SCHEMBL14534275 0.78 ABCB1 (0.54) ALDH1A1ATMHPGDABCB1MEN1
SCHEMBL13484528 0.78 ALDH1A1 (0.42) ALDH1A1ATMHPGDGLAL3MBTL1
SCHEMBL19962187 0.78 MEN1 (0.56) ALDH1A1ATMHPGDGLAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110054165-A1 XANTHENE DYES BIOSEARCH TECHNOLOGIES, INC. (US) 2011-03-03 — — US disclosed
US-7344701-B2 Xanthene dyes BIOSEARCH TECHNOLOGIES, INC. (US) 2008-03-18 — — 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-20110054165-A1 XANTHENE DYES ANXA5, ANTXR2, XPOT ALDH1A1 3048/4885ATM 4269/4885HPGD 1977/4885

“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.

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