SCHEMBL18545527

SCHEMBL18545527

COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(c4ccccc4)C3=O)c2C)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.59
▸ RAB9A P51151 9/20 0.59
▸ POLB P06746 6/20 0.59
▸ MYC P01106 2/20 0.58
▸ TCF4 P15884 1/20 0.57
▸ CTNNB1 P35222 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57
▸ SMN1; SMN2 Q16637 8/20 0.49
▸ NPC1 O15118 7/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ KDM4E B2RXH2 6/20 0.49
▸ HTT P42858 3/20 0.49
▸ TDP1 Q9NUW8 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ TNNI3 P19429 1/20 0.45
▸ TNNT2 P45379 1/20 0.45
▸ TNNC1 P63316 1/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ MAPT P10636 5/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL12009070 1.00 ALDH1A1 (0.59) ALDH1A1RAB9APOLBMYCTCF4
SCHEMBL12009080 0.94 MYC (0.63) ALDH1A1RAB9APOLBMYCTCF4
SCHEMBL18545517 0.91 MYC (0.67) ALDH1A1RAB9APOLBMYCTCF4
SCHEMBL12009062 0.91 MYC (0.67) ALDH1A1RAB9APOLBMYCTCF4
SCHEMBL13446965 0.90 MYC (0.61) ALDH1A1RAB9APOLBMYCTCF4
SCHEMBL12009094 0.86 MYC (0.77) ALDH1A1RAB9APOLBMYCTCF4
SCHEMBL18545498 0.86 MYC (0.77) ALDH1A1RAB9APOLBMYCTCF4
SCHEMBL13446970 0.85 MYC (0.67) ALDH1A1RAB9APOLBMYCTCF4
SCHEMBL12009084 0.85 TCF4 (0.65) ALDH1A1RAB9APOLBMYCTCF4
SCHEMBL18545537 0.85 TCF4 (0.65) ALDH1A1RAB9APOLBMYCTCF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF DASGUPTA RAMANUJ (US) 2017-02-23 — — 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-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 ALDH1A1 413/4885RAB9A 3367/4885POLB 2088/4885

“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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