SCHEMBL18468872

SCHEMBL18468872

CC(C)COC(=O)c1ccc(OC[C@@]2(C=O)CCCc3cc(Cl)ccc32)c([N+](=O)[O-])c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ LMNA P02545 4/20 0.35
▸ POLB P06746 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ AR P10275 1/20 0.34
▸ PELP1 Q8IZL8 1/20 0.34
▸ PDK1 Q15118 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
SCHEMBL26314564 0.91 KMT2A (0.42) KDM4EALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL26314559 0.89 ALDH1A1 (0.40) KDM4EALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL17542388 0.88 PLA2G4B (0.39) KDM4EALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL26194437 0.88 LMNA (0.41) KDM4EALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL17558482 0.87 KDM4E (0.38) KDM4EALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL29436357 0.87 KDM4E (0.38) KDM4EALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL17558480 0.87 KDM4E (0.38) KDM4EALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL17542370 0.87 KDM4E (0.41) KDM4EALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL17542371 0.87 KDM4E (0.41) KDM4EALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL18468871 0.86 ALDH1A1 (0.38) KDM4EALDH1A1RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170088560-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2017-03-30 — — US disclosed
US-9562061-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2017-02-07 — — 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-20170088560-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 KDM4E 1959/4885ALDH1A1 1891/4885RAB9A 2382/4885

“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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