SCHEMBL18229656

SCHEMBL18229656

CC(C)(C#CCO)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TSHR P16473 3/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
IDO1 P14902 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AGXT P21549 1/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 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
LIPE Q05469 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 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) ALDH1A1TSHRKDM4EIDO1SMN1; SMN2
SCHEMBL18229698 0.83 TSHR (0.38) ALDH1A1TSHRIDO1SMN1; SMN2AGXT
SCHEMBL18229697 0.83 TSHR (0.38) ALDH1A1TSHRIDO1SMN1; SMN2AGXT
SCHEMBL17974797 0.80 TSHR (0.41) ALDH1A1TSHRIDO1SMN1; SMN2AGXT
SCHEMBL19829640 0.77 TSHR (0.39) ALDH1A1TSHRIDO1SMN1; SMN2AGXT
SCHEMBL18229700 0.75 IDO1 (0.33) ALDH1A1TSHRIDO1SMN1; SMN2AGXT
SCHEMBL18229704 0.75 CA1 (0.39) ALDH1A1TSHRSMN1; SMN2LMNANPC1
SCHEMBL19829058 0.75 TSHR (0.36) ALDH1A1TSHRIDO1AGXTSLC6A2
SCHEMBL19809983 0.74 LMNA (0.41) ALDH1A1KDM4ELMNACYP1A2SLC6A2
SCHEMBL19809984 0.74 LMNA (0.41) ALDH1A1KDM4ELMNACYP1A2SLC6A2

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 9 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-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
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 ALDH1A1 418/4885TSHR 3247/4885KDM4E 3635/4885
US-20180134724-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF OMACETAXINE AND CEPHALOTAXINE DERIVATIVES THEREOF MAOB, MAOA, NISCH ALDH1A1 418/4885TSHR 3247/4885KDM4E 3635/4885

“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.