SCHEMBL24534776

SCHEMBL24534776

C=C(NC(=O)c1ccc(CCC)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.65
POLB P06746 3/20 0.55
CTDSP1 Q9GZU7 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KMT2A Q03164 1/20 0.55
MCOLN3 Q8TDD5 1/20 0.55
GAA P10253 5/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
THRB P10828 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TRPV1 Q8NER1 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HDAC1 Q13547 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
SCHEMBL24534682 0.91 PLK1 (0.67) PLK1KMT2AALDH1A1KDM4ETHRB
SCHEMBL24534632 0.89 PLK1 (0.60) PLK1KMT2AALDH1A1THRBTRPV1
SCHEMBL24534900 0.88 HAO1 (0.59) PLK1KMT2AALDH1A1THRBTRPV1
SCHEMBL28459351 0.81 PLK1 (0.61) PLK1POLBCTDSP1NPC1RAB9A
SCHEMBL13670699 0.80 PLK1 (0.73) PLK1POLBCTDSP1NPC1RAB9A
SCHEMBL22505287 0.79 PLK1 (0.63) PLK1POLBCTDSP1NPC1RAB9A
SCHEMBL8246095 0.79 PLK1 (1.00) PLK1POLBCTDSP1NPC1RAB9A
SCHEMBL24534850 0.79 PPARG (0.42) PLK1NPC1RAB9AALDH1A1TDP1
SCHEMBL22505170 0.77 PLK1 (0.65) PLK1KMT2AKDM4ETHRBTRPV1
SCHEMBL24534531 0.77 PLK1 (0.59) PLK1POLBNPC1RAB9AKMT2A

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 3407/4885POLB 2417/4885CTDSP1 2736/4885

“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.