SCHEMBL29554248

SCHEMBL29554248

O=C[C@]1(COC(=O)c2ccc(Br)cc2)CCOc2cc(Cl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 3/20 0.42
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ MAPT P10636 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ PRKCE Q02156 1/20 0.35
▸ RASGRP3 Q8IV61 1/20 0.35
▸ RARA P10276 1/20 0.35
▸ RARB P10826 1/20 0.35
▸ RARG P13631 1/20 0.35
▸ PPARG P37231 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34

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
SCHEMBL19285358 1.00 MAP3K14 (0.42) MAP3K14MEN1KMT2ATP53POLB
SCHEMBL19285356 1.00 MAP3K14 (0.42) MAP3K14MEN1KMT2ATP53POLB
SCHEMBL21930644 0.83 MAP3K14 (0.43) MAP3K14MEN1KMT2ATP53POLB
SCHEMBL19285146 0.83 MAP3K14 (0.43) MAP3K14MEN1KMT2ATP53POLB
SCHEMBL29554355 0.83 MAP3K14 (0.43) MAP3K14MEN1KMT2ATP53POLB
SCHEMBL21930460 0.80 MAP3K14 (0.44) MAP3K14MEN1KMT2ATP53POLB
SCHEMBL21930456 0.80 MAP3K14 (0.44) MAP3K14MEN1KMT2ATP53POLB
SCHEMBL23669587 0.80 PRKCA (0.35) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL17542330 0.80 KDM1A (0.37) POLBMAPTPRKCAPRKCERASGRP3
SCHEMBL23669589 0.80 PRKCA (0.35) MEN1KMT2APOLBMAPTKDM4E

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-11306107-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2022-04-19 — — 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-11306107-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 MAP3K14 1577/4885MEN1 999/4885KMT2A 1766/4885

“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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