SCHEMBL18229697

SCHEMBL18229697

CC(C)(C#CCBr)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
IDO1 P14902 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TRPA1 O75762 1/20 0.34
AGXT P21549 1/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A2 P23975 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
SGMS2 Q8NHU3 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOB P27338 3/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL19831965 0.84 TSHR (0.39) TSHRIDO1ALDH1A1AGXTLMNA
SCHEMBL18229656 0.83 ALDH1A1 (0.38) TSHRIDO1ALDH1A1AGXTLMNA
SCHEMBL18229698 0.83 TSHR (0.38) TSHRIDO1ALDH1A1AGXTLMNA
SCHEMBL17974797 0.80 TSHR (0.41) TSHRIDO1ALDH1A1TRPA1AGXT
SCHEMBL19829640 0.77 TSHR (0.39) TSHRIDO1ALDH1A1AGXTLMNA
SCHEMBL18229704 0.75 CA1 (0.39) TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL18229700 0.75 IDO1 (0.33) TSHRIDO1ALDH1A1AGXTLMNA
SCHEMBL19829058 0.75 TSHR (0.36) TSHRIDO1ALDH1A1AGXTTDP1
SCHEMBL17963379 0.74 TSHR (0.43) TSHRIDO1ALDH1A1AGXTLMNA
SCHEMBL10780111 0.74 SGMS2 (0.44) TSHRIDO1ALDH1A1AGXTTDP1

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-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
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 TSHR 3247/4885IDO1 199/4885ALDH1A1 418/4885
US-20180134724-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF OMACETAXINE AND CEPHALOTAXINE DERIVATIVES THEREOF MAOB, MAOA, NISCH TSHR 3247/4885IDO1 199/4885ALDH1A1 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.