SCHEMBL18229682

SCHEMBL18229682

CC(C)(C#CCC1(C(=O)O)CC(=O)O1)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
MAOB P27338 1/20 0.32
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL18229679 1.00 ALDH1A1 (0.33) ALDH1A1MAOBTSHRSMN1; SMN2LMNA
SCHEMBL18235805 0.79 PPARA (0.32)
SCHEMBL20156637 0.77
SCHEMBL20150669 0.77
SCHEMBL24192697 0.74 ALDH1A1 (0.35) ALDH1A1MAOBTSHR
SCHEMBL1463760 0.74 ALDH1A1 (0.35) ALDH1A1MAOBTSHR
SCHEMBL1463759 0.74 ALDH1A1 (0.35) ALDH1A1MAOBTSHR
SCHEMBL1464523 0.74 ALDH1A1 (0.35) ALDH1A1MAOBTSHR
SCHEMBL1464529 0.74 ALDH1A1 (0.35) ALDH1A1MAOBTSHR
SCHEMBL18229672 0.73 PKM (0.30) ALDH1A1NPC1RAB9APKM

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 3 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
WO-2016182850-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF OMACETAXINE AND CEPHALOTAXINE DERIVATIVES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2016-11-17 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-10597401-B2 Methods and intermediates for the preparation of omacetaxine and cephalotaxine derivatives thereof MAOB, MAOA, NISCH ALDH1A1 418/4885MAOB 1/4885TSHR 3247/4885
US-20180134724-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF OMACETAXINE AND CEPHALOTAXINE DERIVATIVES THEREOF MAOB, MAOA, NISCH ALDH1A1 418/4885MAOB 1/4885TSHR 3247/4885

“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.