SCHEMBL24534825

SCHEMBL24534825

CCCCCc1ccc(C(=O)NC(C)(C)C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 4/20 0.56
▸ RARB P10826 5/20 0.55
▸ ALDH1A1 P00352 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ RARA P10276 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ MTOR P42345 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ TRPV1 Q8NER1 1/20 0.54
▸ HAO1 Q9UJM8 1/20 0.54
▸ PLK3 Q9H4B4 3/20 0.52
▸ PLA2G1B P04054 4/20 0.51
▸ ATG4B Q9Y4P1 4/20 0.51
▸ THRA P10827 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL24534804 0.85 RARB (0.54) PLK1RARBALDH1A1MEN1RARA
SCHEMBL3091682 0.84 TRPV1 (0.56) PLK1RARBALDH1A1MEN1RARA
SCHEMBL24534839 0.81 PLK1 (0.59) PLK1RARBALDH1A1MEN1RARA
SCHEMBL19267247 0.80 RARB (0.45) PLK1RARBALDH1A1MEN1RARA
SCHEMBL12894703 0.79 TP53 (0.55) PLK1RARBMEN1KMT2A
SCHEMBL11066189 0.79 PLK1 (0.53) PLK1ALDH1A1MEN1MAPTKMT2A
SCHEMBL8060359 0.78 HDAC1 (0.70) PLK1RARBALDH1A1MEN1RARA
SCHEMBL2747801 0.78 PLK1 (0.67) PLK1RARBALDH1A1MEN1RARA
SCHEMBL1051632 0.76 ALDH1A1 (0.59) RARBALDH1A1MEN1RARAMAPT
SCHEMBL9164847 0.76 PLK1 (0.65) PLK1RARBALDH1A1MEN1RARA

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-20220193041-A1 NOVEL COMPOUND AND METHOD FOR PREVENTING OR TREATING OF RESPIRATORY DISEASES COMPRISING THE SAME AS AN ACTIVE INGREDIENT Yonsei University, University - Industry Foundation (UIF) (KR) 2022-06-23 — — 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-20220193041-A1 NOVEL COMPOUND AND METHOD FOR PREVENTING OR TREATING OF RESPIRATORY DISEASES COMPRISING THE SAME AS AN ACTIVE INGREDIENT EPX, CFTR, MPO PLK1 3407/4885RARB 728/4885ALDH1A1 1549/4885

“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.

Send feedback