SCHEMBL29456534

SCHEMBL29456534

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ G6PD P11413 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ VCAM1 P19320 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
SCHEMBL30536587 1.00 KDM4E (0.41) KDM4EALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL26858881 1.00 KDM4E (0.41) KDM4EALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL26858898 1.00 KDM4E (0.41) KDM4EALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL29036740 1.00 KDM4E (0.41) KDM4EALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL29456583 1.00 KDM4E (0.41) KDM4EALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL30536585 1.00 KDM4E (0.41) KDM4EALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL25253765 0.90 KDM4E (0.43) KDM4EALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL25295894 0.90 KDM4E (0.43) KDM4EALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL25295895 0.90 KDM4E (0.43) KDM4EALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL22894679 0.87 S1PR4 (0.50) KDM4EALDH1A1KMT2ASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12552808-B2 Diol desymmetrization by nucleophilic aromatic substitution AMGEN INC. (US) 2026-02-17 — — US disclosed
US-20230365588-A1 DIOL DESYMMETRIZATION BY NUCLEOPHILIC AROMATIC SUBSTITUTION AMGEN INC. (US) 2023-11-16 — — US disclosed
EP-4208467-A1 DIOL DESYMMETRIZATION BY NUCLEOPHILIC AROMATIC SUBSTITUTION Amgen Inc. (US) 2023-07-12 — — EP disclosed
WO-2022051317-A1 DIOL DESYMMETRIZATION BY NUCLEOPHILIC AROMATIC SUBSTITUTION AMGEN INC. (US) 2022-03-10 — — WO 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 (2 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-12552808-B2 Diol desymmetrization by nucleophilic aromatic substitution MCL1, BAK1, BCL2 KDM4E 3370/4885ALDH1A1 1597/4885KMT2A 2283/4885
US-20230365588-A1 DIOL DESYMMETRIZATION BY NUCLEOPHILIC AROMATIC SUBSTITUTION MCL1, BAK1, BCL2A1 KDM4E 1125/4885ALDH1A1 393/4885KMT2A 793/4885

“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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