SCHEMBL24534682

SCHEMBL24534682

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

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.67
TRPV1 Q8NER1 2/20 0.58
RARB P10826 6/20 0.54
THRA P10827 3/20 0.53
THRB P10828 3/20 0.53
HAO1 Q9UJM8 1/20 0.51
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.48
RARA P10276 1/20 0.48
MAPT P10636 1/20 0.48
MTOR P42345 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL24534632 0.95 PLK1 (0.60) PLK1TRPV1RARBTHRATHRB
SCHEMBL24534900 0.94 HAO1 (0.59) PLK1TRPV1RARBTHRATHRB
SCHEMBL24534776 0.91 PLK1 (0.65) PLK1TRPV1THRBALDH1A1KDM4E
SCHEMBL22505170 0.87 PLK1 (0.65) PLK1TRPV1RARBTHRATHRB
SCHEMBL28459349 0.82 TRPV1 (0.63) PLK1TRPV1RARBTHRATHRB
SCHEMBL24534531 0.81 PLK1 (0.59) PLK1KDM4EMEN1MAPTKMT2A
SCHEMBL6958590 0.80 PLK1 (1.00) PLK1TRPV1RARBTHRATHRB
SCHEMBL6958582 0.79 PLK1 (0.72) PLK1TRPV1RARBTHRATHRB
SCHEMBL28645496 0.79 RARB (0.62) PLK1TRPV1RARBTHRATHRB
SCHEMBL28465310 0.78 TRPV1 (0.58) PLK1TRPV1RARBTHRATHRB

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 3407/4885TRPV1 213/4885RARB 728/4885

“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.