SCHEMBL18229698

SCHEMBL18229698

CC(C)(C#CCI)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
IDO1 P14902 1/20 0.35
MAOB P27338 3/20 0.35
AGXT P21549 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
SLC6A2 P23975 2/20 0.34
CYP1A2 P05177 1/20 0.34
PTGS1 P23219 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGS2 P35354 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HIF1A Q16665 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PPARG P37231 2/20 0.33
APP P05067 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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) TSHRIDO1MAOBAGXTALDH1A1
SCHEMBL18229697 0.83 TSHR (0.38) TSHRIDO1MAOBAGXTALDH1A1
SCHEMBL18229656 0.83 ALDH1A1 (0.38) TSHRIDO1AGXTALDH1A1LMNA
SCHEMBL17974797 0.80 TSHR (0.41) TSHRIDO1MAOBAGXTALDH1A1
SCHEMBL19829640 0.77 TSHR (0.39) TSHRIDO1MAOBAGXTALDH1A1
SCHEMBL19809993 0.77 TSHR (0.48) TSHRMAOBALDH1A1LMNASLC6A2
SCHEMBL18229700 0.75 IDO1 (0.33) TSHRIDO1AGXTALDH1A1LMNA
SCHEMBL18229704 0.75 CA1 (0.39) TSHRALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL19829058 0.75 TSHR (0.36) TSHRIDO1MAOBAGXTALDH1A1
SCHEMBL17963379 0.74 TSHR (0.43) TSHRIDO1MAOBAGXTALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018019549-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.P.A. (IT) 2018-02-01 WO claimed
EP-3275875-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.p.A. (IT) 2018-01-31 EP claimed
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-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
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-2018019549-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.P.A. (IT) 2018-02-01 WO disclosed
EP-3275875-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.p.A. (IT) 2018-01-31 EP 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 199/4885MAOB 1/4885
US-20180134724-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF OMACETAXINE AND CEPHALOTAXINE DERIVATIVES THEREOF MAOB, MAOA, NISCH TSHR 3247/4885IDO1 199/4885MAOB 1/4885

“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.