SCHEMBL26314795

SCHEMBL26314795

COC(C)[C@]1(COC(C)=O)CCCc2cc(Cl)ccc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.38
▸ KDM4C Q9H3R0 1/20 0.36
▸ SIGMAR1 Q99720 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SRD5A1 P18405 4/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ MCL1 Q07820 5/20 0.33
▸ SRD5A2 P31213 2/20 0.33
▸ BCL2L11 O43521 2/20 0.33
▸ PPARG P37231 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL23442105 0.90 KDM1A (0.39) KDM1AKDM4CSIGMAR1SMN1; SMN2CYP2C19
SCHEMBL17565610 0.83 KDM1A (0.43) KDM1AKDM4CSIGMAR1CYP2C19SRD5A1
SCHEMBL26194443 0.83 KDM1A (0.45) KDM1AKDM4CSIGMAR1CYP2C19SRD5A1
SCHEMBL25643125 0.77 SLC6A15 (0.38) KDM1AKDM4CSMN1; SMN2PPARGPPARD
SCHEMBL26194442 0.77 LMNA (0.39) SMN1; SMN2MEN1LMNAMAPTKMT2A
SCHEMBL23442101 0.77 KDM1A (0.41) KDM1AKDM4CSIGMAR1SMN1; SMN2SRD5A1
SCHEMBL23442097 0.77 KDM1A (0.41) KDM1AKDM4CSIGMAR1SMN1; SMN2SRD5A1
SCHEMBL26314917 0.75 HCAR3 (0.39) SMN1; SMN2MEN1LMNAMAPTKMT2A
SCHEMBL17542361 0.75 KDM1A (0.44) KDM1AKDM4CSIGMAR1SRD5A1MCL1
SCHEMBL17542298 0.75 KDM1A (0.44) KDM1AKDM4CSIGMAR1SRD5A1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760736-B2 Processes and intermediates for preparing MCL1 inhibitors GILEAD SCIENCES, INC. (US) 2023-09-19 — — 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 (1 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-11760736-B2 Processes and intermediates for preparing MCL1 inhibitors MCL1, BAK1, BCL3 KDM1A 563/4885KDM4C 2667/4885SIGMAR1 4148/4885

“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.

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