SCHEMBL20156649

SCHEMBL20156649

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

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.32
PTPN1 P18031 2/20 0.32
CDC25B P30305 1/20 0.32
CETP P11597 3/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
MBOAT4 Q96T53 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL20156639 0.85 AKR1B1 (0.32) ALDH1A1CYP3A4
SCHEMBL18229665 0.84 NAAA (0.31)
SCHEMBL19829242 0.84 NAAA (0.31)
SCHEMBL18229672 0.78 PKM (0.30) ALDH1A1
SCHEMBL20156626 0.77 TSHR (0.31) ALDH1A1TSHR
SCHEMBL18229668 0.76 NAAA (0.32) ALDH1A1TSHR
SCHEMBL20150654 0.70 NAAA (0.32) ALDH1A1
SCHEMBL18229720 0.70 KDM4E (0.31) ALDH1A1
SCHEMBL18229721 0.70 KDM4E (0.31) ALDH1A1
SCHEMBL19832120 0.69 AKR1B1 (0.32) CYP3A4

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 HPSE 1775/4885PTPN1 4083/4885CDC25B 141/4885
US-20180134724-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF OMACETAXINE AND CEPHALOTAXINE DERIVATIVES THEREOF MAOB, MAOA, NISCH HPSE 1775/4885PTPN1 4083/4885CDC25B 141/4885

“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.