SCHEMBL26314564

SCHEMBL26314564

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 8/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ LMNA P02545 4/20 0.39
▸ POLB P06746 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ PTGER4 P35408 1/20 0.38
▸ ALOX12 P18054 1/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ GAA P10253 1/20 0.36

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
SCHEMBL17542388 0.92 PLA2G4B (0.39) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL26314559 0.92 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL18468872 0.91 KDM4E (0.37) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL26194437 0.90 LMNA (0.41) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL17558480 0.89 KDM4E (0.38) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL17558482 0.89 KDM4E (0.38) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL29436357 0.89 KDM4E (0.38) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL17542371 0.89 KDM4E (0.41) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL17542370 0.89 KDM4E (0.41) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL23442627 0.86 SMN1; SMN2 (0.38) ALDH1A1RAB9ANPC1LMNASMN1; SMN2

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-11760736-B2 Processes and intermediates for preparing MCL1 inhibitors GILEAD SCIENCES, INC. (US) 2023-09-19 — — US disclosed
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 KMT2A 1090/4885MEN1 123/4885ALDH1A1 2336/4885

“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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