SCHEMBL29436682

SCHEMBL29436682

COC(OC)[C@]1(COc2ccc(C(=O)OC(C)(C)C)cc2[N+](=O)[O-])CCCc2cc(Cl)ccc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ LMNA P02545 4/20 0.35
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 7/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HPGD P15428 4/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ G6PD P11413 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ HTT P42858 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ S1PR4 O95977 1/20 0.33

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
SCHEMBL17542342 1.00 KDM4E (0.36) KDM4ESMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL17542198 1.00 KDM4E (0.36) KDM4ESMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL17565611 0.93 KDM4E (0.36) KDM4ESMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL26314543 0.92 ALDH1A1 (0.39) KDM4ESMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL26314541 0.90 KMT2A (0.40) KDM4ESMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL26314548 0.90 KDM4E (0.39) KDM4ESMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL17558512 0.90 KDM4E (0.39) KDM4ESMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL18468871 0.88 ALDH1A1 (0.38) KDM4ESMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL29554048 0.86 ALDH1A1 (0.36) KDM4ESMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL19284802 0.86 ALDH1A1 (0.36) KDM4ESMN1; SMN2LMNAPOLBALDH1A1

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-12024529-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-07-02 — — US disclosed
US-20230271981-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-08-31 — — US disclosed
US-11685747-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2023-06-27 — — US disclosed
EP-3601297-B9 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2023-05-24 — — EP disclosed
EP-3762393-B1 ALPHA-HYDROXY PHENYLACETIC ACID PHARMACOPHORE OR BIOISOSTERE MCL-1 PROTEIN ANTAGONISTS AMGEN INC (US) 2023-01-11 — — EP disclosed
EP-3601297-B1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2022-10-19 — — EP disclosed
US-11306107-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2022-04-19 — — US disclosed
US-11274105-B2 Alpha-hydroxy phenylacetic acid pharmacophore or bioisostere Mcl-1 protein antagonists AMGEN INC. (US) 2022-03-15 — — 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 (5 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 KDM4E 1959/4885SMN1; SMN2 1807/4885LMNA 1191/4885
US-20230271981-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL2L1, BCL9 KDM4E 2252/4885SMN1; SMN2 2311/4885LMNA 1204/4885
US-11685747-B2 Compounds that inhibit MCL-1 protein MCL1, BCL2L1, BCL9 KDM4E 2252/4885SMN1; SMN2 2311/4885LMNA 1204/4885
US-12024529-B2 Compounds that inhibit MCL-1 protein MCL1, BCL2L1, BCL9 KDM4E 2252/4885SMN1; SMN2 2311/4885LMNA 1204/4885
US-11274105-B2 Alpha-hydroxy phenylacetic acid pharmacophore or bioisostere Mcl-1 protein antagonists MCL1, BCL2A1, BCLAF1 KDM4E 3326/4885SMN1; SMN2 3526/4885LMNA 2279/4885

“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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