SCHEMBL26314543

SCHEMBL26314543

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HPGD P15428 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LMNA P02545 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ G6PD P11413 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ HTT P42858 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
SCHEMBL26314541 0.93 KMT2A (0.40) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL17558512 0.92 KDM4E (0.39) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL26314548 0.92 KDM4E (0.39) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL17542342 0.92 KDM4E (0.36) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL29436682 0.92 KDM4E (0.36) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL17542198 0.92 KDM4E (0.36) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL18468871 0.91 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL23442629 0.86 USP2 (0.38) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL24461918 0.86 S1PR4 (0.37) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL19285180 0.86 TDP1 (0.36) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A

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.

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