SCHEMBL20156626

SCHEMBL20156626

COC(=O)C[C@@]1(CC#CC(C)(C)OCc2ccccc2)OC(O)OC1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
KAT2B Q92831 1/20 0.31
NAAA Q02083 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
OPRM1 P35372 1/20 0.30
KCNH2 Q12809 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL18229668 0.89 NAAA (0.32) TSHRNAAAKDM4EALDH1A1LMNA
SCHEMBL18229721 0.83 KDM4E (0.31) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL18229720 0.83 KDM4E (0.31) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL20156639 0.81 AKR1B1 (0.32) NAAAALDH1A1
SCHEMBL19829242 0.80 NAAA (0.31) NAAA
SCHEMBL18229665 0.80 NAAA (0.31) NAAA
SCHEMBL20156649 0.77 HPSE (0.32) TSHRALDH1A1
SCHEMBL18229672 0.73 PKM (0.30) ALDH1A1NPC1RAB9A
SCHEMBL20150654 0.72 NAAA (0.32) NAAAALDH1A1LMNA
SCHEMBL18229666 0.69 ALDH1A1 (0.36) KDM4EALDH1A1LMNAHTTNPC1

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-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 (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-20180134724-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF OMACETAXINE AND CEPHALOTAXINE DERIVATIVES THEREOF MAOB, MAOA, NISCH TSHR 3247/4885KAT2B 3863/4885NAAA 591/4885

“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.