SCHEMBL29456495

SCHEMBL29456495

COC(=O)c1ccc(OC)c([C@@H]2COCCCN2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.42
PDE4D Q08499 7/20 0.39
PDE4A P27815 5/20 0.39
PDE4B Q07343 5/20 0.39
PDE4C Q08493 5/20 0.39
MAPK1 P28482 1/20 0.37
ALOX15 P16050 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
MGLL Q99685 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL21491449 1.00 KMT2A (0.43) KMT2AMEN1MAPTPDE4DPDE4A
SCHEMBL21491303 0.89 CA12 (0.44) MAPTPDE4DPDE4APDE4BPDE4C
SCHEMBL24313200 0.89 CCNC (0.40) KMT2AMEN1MAPTPDE4DPDE4A
Hydrochloric Acid SCHEMBL21491110 0.88 CA12 (0.43) MAPTPDE4DPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL29456315 0.88 CA12 (0.43) MAPTPDE4DPDE4APDE4BPDE4C
SCHEMBL21491317 0.86 ALDH1A1 (0.41) KMT2AMEN1MAPTALOX15ALDH1A1
SCHEMBL21491473 0.84 ALDH1A1 (0.39) KMT2AMEN1MAPTALOX15ALDH1A1
SCHEMBL31472369 0.73 ALOX15 (0.39) KMT2AMEN1MAPTPDE4DPDE4A
SCHEMBL21491219 0.73 ALOX15 (0.39) KMT2AMEN1MAPTPDE4DPDE4A
SCHEMBL31472393 0.73 ALOX15 (0.39) KMT2AMEN1MAPTPDE4DPDE4A

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 KMT2A 2819/4885MEN1 1423/4885MAPT 3920/4885
US-11440907-B1 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI KMT2A 2819/4885MEN1 1423/4885MAPT 3920/4885
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI KMT2A 2819/4885MEN1 1423/4885MAPT 3920/4885
US-20250188070-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI KMT2A 2819/4885MEN1 1423/4885MAPT 3920/4885

“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.