SCHEMBL20156639

SCHEMBL20156639

C[C@H]1OC(=O)[C@@](CC#CC(C)(C)OCc2ccccc2)(CC(=O)O)O1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.32
NAAA Q02083 4/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL19829242 0.89 NAAA (0.31) AKR1B1NAAA
SCHEMBL18229665 0.89 NAAA (0.31) AKR1B1NAAA
SCHEMBL20156649 0.85 HPSE (0.32) ALDH1A1CYP3A4
SCHEMBL20150654 0.83 NAAA (0.32) NAAAALDH1A1
SCHEMBL18229672 0.82 PKM (0.30) ALDH1A1
SCHEMBL20156626 0.81 TSHR (0.31) NAAAALDH1A1
SCHEMBL18229668 0.80 NAAA (0.32) NAAAALDH1A1SMN1; SMN2
SCHEMBL18229721 0.73 KDM4E (0.31) ALDH1A1
SCHEMBL18229720 0.73 KDM4E (0.31) ALDH1A1
SCHEMBL19832120 0.73 AKR1B1 (0.32) AKR1B1NAAACYP3A4CYP2D6

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-10597401-B2 Methods and intermediates for the preparation of omacetaxine and cephalotaxine derivatives thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2020-03-24 US disclosed
US-20180134724-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF OMACETAXINE AND CEPHALOTAXINE DERIVATIVES THEREOF CURIA BUFFALO R&D, LLC 2018-05-17 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 (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-10597401-B2 Methods and intermediates for the preparation of omacetaxine and cephalotaxine derivatives thereof MAOB, MAOA, NISCH AKR1B1 94/4885NAAA 591/4885ALDH1A1 418/4885
US-20180134724-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF OMACETAXINE AND CEPHALOTAXINE DERIVATIVES THEREOF MAOB, MAOA, NISCH AKR1B1 94/4885NAAA 591/4885ALDH1A1 418/4885

“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.