SCHEMBL19285247

SCHEMBL19285247

C=CCC(C)NCCCOC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.32
KDM4E B2RXH2 4/20 0.32
HTT P42858 1/20 0.32
POLB P06746 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL19285248 1.00 ALDH1A1 (0.33) ALDH1A1GAATSHRKDM4EHTT
SCHEMBL17743125 0.79 ALDH1A1 (0.36) ALDH1A1GAATSHRKDM4EHTT
SCHEMBL3854550 0.76 ALDH1A1 (0.35) ALDH1A1GAATSHRHTTPOLB
Hydrochloric Acid SCHEMBL22771669 0.76 TSHR (0.36) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL22771727 0.74 TSHR (0.37) ALDH1A1TSHRKDM4E
SCHEMBL18403942 0.73
SCHEMBL6846735 0.73
SCHEMBL8262524 0.72
SCHEMBL20074065 0.72 CYP3A4 (0.31)
Hydrochloric Acid SCHEMBL22771632 0.71 SIGMAR1 (0.38) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12091425-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-09-17 US disclosed
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-02-16 US disclosed
US-11306107-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2022-04-19 US disclosed
US-20210230189-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2021-07-29 US disclosed
WO-2017147410-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2017-08-31 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 (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-20210230189-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 ALDH1A1 1891/4885GAA 2465/4885TSHR 4714/4885
US-11306107-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 ALDH1A1 1891/4885GAA 2465/4885TSHR 4714/4885
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 ALDH1A1 1891/4885GAA 2465/4885TSHR 4714/4885
US-12091425-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 ALDH1A1 1891/4885GAA 2465/4885TSHR 4714/4885

“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.