SCHEMBL26314559

SCHEMBL26314559

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HPGD P15428 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ LMNA P02545 5/20 0.39
▸ G6PD P11413 1/20 0.39
▸ ESRRA P11474 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ VCAM1 P19320 1/20 0.37
▸ TP53 P04637 1/20 0.37

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 0.92 KMT2A (0.42) ALDH1A1SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL26194437 0.91 LMNA (0.41) ALDH1A1SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL29436357 0.91 KDM4E (0.38) ALDH1A1SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL17558482 0.91 KDM4E (0.38) ALDH1A1SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL17558480 0.91 KDM4E (0.38) ALDH1A1SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL17542370 0.90 KDM4E (0.41) ALDH1A1SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL17542371 0.90 KDM4E (0.41) ALDH1A1SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL18468872 0.89 KDM4E (0.37) ALDH1A1SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL17542388 0.89 PLA2G4B (0.39) ALDH1A1SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL29456534 0.86 KDM4E (0.41) ALDH1A1SMN1; SMN2KMT2ARAB9ANPC1

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 ALDH1A1 2336/4885SMN1; SMN2 1917/4885KMT2A 1090/4885

“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.

Send feedback