SCHEMBL21758682

SCHEMBL21758682

COC(=O)CCCN(Cc1ccccc1)C(C)(C)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
BMP1 P13497 1/20 0.39
ALOX5 P09917 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38

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
SCHEMBL29151949 0.92 TDP1 (0.50) LTA4HTDP1LMNAKDM4EALDH1A1
SCHEMBL28646100 0.91 KDM4A (0.42) LTA4HTDP1BMP1MEN1HTT
SCHEMBL17540988 0.82 ALOX5 (0.54) LTA4HTDP1LMNAALDH1A1ADRB2
SCHEMBL25473056 0.79 HDAC3 (0.55) LTA4HTDP1LMNAKDM4EALDH1A1
SCHEMBL15270589 0.79 HDAC3 (0.59) LTA4HTDP1LMNAKDM4EALDH1A1
SCHEMBL27144728 0.78 ABCB1 (0.43) LTA4HTDP1LMNAKDM4EALDH1A1
SCHEMBL21908927 0.77 LTA4H (0.62) LTA4HL3MBTL1TMEM97SIGMAR1
SCHEMBL31301729 0.76 HDAC3 (0.52) LTA4HTDP1LMNAKDM4EALDH1A1
SCHEMBL28479321 0.75 HDAC3 (0.51) LTA4HTDP1LMNAKDM4EALDH1A1
SCHEMBL14350173 0.75 ALOX5 (0.57) LTA4HTDP1LMNAALDH1A1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators JAGUAHR THERAPEUTICS PTE LTD (SG) 2025-02-11 US disclosed
EP-3841102-B1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2022-09-14 EP disclosed
US-20210332041-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2021-10-28 US disclosed
US-20210332041-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2021-10-28 US disclosed
CN-112739698-A Tetrahydropyrimidine derivatives as AHR modulators 捷豹治疗有限公司 2021-04-30 CN disclosed
WO-2020039093-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2020-02-27 WO 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-20210332041-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS AHR, ARNT, NQO1 LTA4H 1211/4885TDP1 1216/4885LMNA 4390/4885
US-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators AHR, ARNT, NQO1 LTA4H 1211/4885TDP1 1216/4885LMNA 4390/4885

“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.