SCHEMBL431472

SCHEMBL431472

CC(=O)C(NCCCCCC(=O)O)C(C)(C)SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 1/20 0.39
▸ CDC25B P30305 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ HTR2C P28335 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP4Z1 Q86W10 4/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C8 P10632 1/20 0.36
▸ CYP2B6 P20813 1/20 0.36
▸ CYP4F8 P98187 1/20 0.36
▸ CYP4F12 Q9HCS2 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ HDAC1 Q13547 2/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL432329 0.90 LMNA (0.42) ALDH1A1LMNAKIF11KDM4ETDP1
SCHEMBL432334 0.82 CYP2C19 (0.38) KIF11HDAC1HDAC3HDAC4HDAC7
SCHEMBL431474 0.82 CYP2C19 (0.38) KIF11HDAC1HDAC3HDAC4HDAC7
SCHEMBL8884895 0.71 ALDH1A1 (0.48) CDC25ACDC25BALDH1A1TBXA2RHTR2C
SCHEMBL431461 0.68 KIF11 (0.46) KIF11MAPT
SCHEMBL12926371 0.68 MEN1 (0.47) ALDH1A1ADRA1AMAPK1KIF11HDAC1
SCHEMBL18160139 0.67 KIF11 (0.45) CYP1A2KIF11HDAC1MAPTHDAC3
SCHEMBL3022513 0.67 LMNA (0.49) ALDH1A1TBXA2RLMNAMAPK1HDAC1
SCHEMBL3034455 0.67 LMNA (0.49) ALDH1A1TBXA2RLMNAMAPK1HDAC1
SCHEMBL34262 0.66 KIF11 (0.50) ALDH1A1SLC6A3ADRA1AMAPK1KIF11

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-20120065367-A1 Radioactively Labeled Substance NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2012-03-15 — — 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-20120065367-A1 Radioactively Labeled Substance KIT, ABCG2, TK1 CDC25A 4513/4885CDC25B 4553/4885ALDH1A1 2232/4885

“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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