SCHEMBL29456491

SCHEMBL29456491

CC(C)(C)OC(=O)N1CCCOC[C@H]1c1ccc(Br)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
USP30 Q70CQ3 2/20 0.41
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 1/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
UCHL1 P09936 1/20 0.38
POLB P06746 1/20 0.38
OPRK1 P41145 1/20 0.37
CNR1 P21554 1/20 0.37
MALT1 Q9UDY8 1/20 0.36

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
SCHEMBL21491471 1.00 TSHR (0.42) TSHRALDH1A1LMNAUSP30NR1H2
SCHEMBL29456500 1.00 TSHR (0.42) TSHRALDH1A1LMNAUSP30NR1H2
SCHEMBL25333214 0.94 NR1H2 (0.41) TSHRALDH1A1LMNAUSP30NR1H2
SCHEMBL21491244 0.92 TSHR (0.40) TSHRALDH1A1LMNAUSP30NR1H2
SCHEMBL31472404 0.92 TSHR (0.40) TSHRALDH1A1LMNAUSP30NR1H2
SCHEMBL21491395 0.88 TSHR (0.42) TSHRALDH1A1LMNAUSP30NR1H2
SCHEMBL29849135 0.88 TSHR (0.42) TSHRALDH1A1LMNAUSP30NR1H2
SCHEMBL31472377 0.88 TSHR (0.42) TSHRALDH1A1LMNANR1H2MAPT
SCHEMBL29456328 0.88 TSHR (0.42) TSHRALDH1A1LMNANR1H2MAPT
SCHEMBL25483064 0.88 TSHR (0.42) TSHRALDH1A1LMNANR1H2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250188070-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2025-06-12 US disclosed
CN-112236428-B Antiproliferative compounds and uses thereof 默克专利股份有限公司 2025-04-01 CN disclosed
US-12195453-B2 Antiproliferation compounds and uses thereof MERCK PATENT GMBH (DE) 2025-01-14 US disclosed
EP-4043460-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2024-06-05 EP disclosed
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-05-18 US disclosed
US-11440907-B1 Antiproliferation compounds and uses thereof MERCK PATENT GMBH (DE) 2022-09-13 US disclosed
EP-4043460-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2022-08-17 EP disclosed
EP-3784666-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-03-16 EP 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 (4 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-12195453-B2 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI TSHR 3810/4885ALDH1A1 263/4885LMNA 1520/4885
US-11440907-B1 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI TSHR 3810/4885ALDH1A1 263/4885LMNA 1520/4885
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI TSHR 3810/4885ALDH1A1 263/4885LMNA 1520/4885
US-20250188070-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI TSHR 3810/4885ALDH1A1 263/4885LMNA 1520/4885

“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.