SCHEMBL25819474

SCHEMBL25819474

COc1ccc(OCCCC(=O)OC(C)(C)C)cc1CCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.48
HSD17B10 Q99714 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
LTB4R Q15722 1/20 0.42
RXRA P19793 1/20 0.41
NR1H2 P55055 1/20 0.41
CAPN1 P07384 1/20 0.40

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
SCHEMBL25035199 0.80 TDP1 (0.51) DHFR
SCHEMBL30475479 0.80 TDP1 (0.51) DHFR
SCHEMBL11433418 0.80 HSD17B10 (0.67) HSD17B10MTNR1AMTNR1BCAPN1
SCHEMBL25035196 0.80 ALDH1A1 (0.45) DHFRMTNR1AMTNR1B
SCHEMBL25033927 0.78 TDP1 (0.48)
SCHEMBL13964605 0.77 MTNR1A (0.44) HSD17B10MTNR1AMTNR1BCAPN1
SCHEMBL25033924 0.77 ALDH1A1 (0.45) DHFRMTNR1AMTNR1B
SCHEMBL27621740 0.76 HSD17B10 (0.65) DHFRHSD17B10MTNR1AMTNR1BLTB4R
SCHEMBL25819476 0.76 MAPT (0.44)
SCHEMBL10335441 0.76 LMNA (0.53) DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-02-27 US disclosed
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-02-27 US disclosed
US-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-07-13 US disclosed
US-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-07-13 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 (2 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-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 DHFR 3049/4885HSD17B10 2913/4885MTNR1A 3099/4885
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 DHFR 743/4885HSD17B10 3131/4885MTNR1A 1744/4885

“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.