SCHEMBL21491372

SCHEMBL21491372

COc1ccc(OC)c(C2CCCCCN2C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39

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
SCHEMBL23036750 1.00 ALDH1A1 (0.48) ALDH1A1MAPTCYP1A2PTGDR2MEN1
SCHEMBL31472402 1.00 ALDH1A1 (0.48) ALDH1A1MAPTCYP1A2PTGDR2MEN1
SCHEMBL21491412 0.90 ALDH1A1 (0.47) ALDH1A1CYP1A2MEN1KMT2ACA1
SCHEMBL23036720 0.90 ALDH1A1 (0.47) ALDH1A1CYP1A2MEN1KMT2ACA1
SCHEMBL31472335 0.90 ALDH1A1 (0.47) ALDH1A1CYP1A2MEN1KMT2ACA1
SCHEMBL21491218 0.78 ALDH1A1 (0.34) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL23036775 0.78 ALDH1A1 (0.34) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL28500502 0.76 ABCB1 (0.48)
SCHEMBL23036825 0.76 TSHR (0.41) ALDH1A1GAAHPGD
SCHEMBL21491186 0.76 TSHR (0.41) ALDH1A1GAAHPGD

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 16 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
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-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-05-18 US 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-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
EP-3784666-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-03-16 EP disclosed
CN-112236428-A Antiproliferative compounds and uses thereof 默克专利股份有限公司 2021-01-15 CN disclosed
US-10815225-B2 Antiproliferation compounds and uses thereof MERCK PATENT GMBH (DE) 2020-10-27 US disclosed
US-10815225-B2 Antiproliferation compounds and uses thereof MERCK PATENT GMBH (DE) 2020-10-27 US disclosed
US-20190322658-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-10-24 US disclosed
US-20190322658-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-10-24 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 (6 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-20190322658-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI ALDH1A1 263/4885MAPT 3920/4885CYP1A2 2454/4885
US-12195453-B2 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI ALDH1A1 263/4885MAPT 3920/4885CYP1A2 2454/4885
US-11440907-B1 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI ALDH1A1 263/4885MAPT 3920/4885CYP1A2 2454/4885
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI ALDH1A1 263/4885MAPT 3920/4885CYP1A2 2454/4885
US-10815225-B2 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI ALDH1A1 263/4885MAPT 3920/4885CYP1A2 2454/4885
US-20250188070-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI ALDH1A1 263/4885MAPT 3920/4885CYP1A2 2454/4885

“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.