SCHEMBL19831965

SCHEMBL19831965

CCC#CC(C)(C)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
IDO1 P14902 1/20 0.36
TP53 P04637 1/20 0.35
AGXT P21549 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
SLC6A2 P23975 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL18229656 0.84 ALDH1A1 (0.38) TSHRIDO1AGXTALDH1A1LMNA
SCHEMBL18229697 0.84 TSHR (0.38) TSHRIDO1AGXTALDH1A1LMNA
SCHEMBL18229698 0.84 TSHR (0.38) TSHRIDO1AGXTALDH1A1LMNA
SCHEMBL17974797 0.81 TSHR (0.41) TSHRIDO1AGXTALDH1A1LMNA
SCHEMBL19829640 0.79 TSHR (0.39) TSHRIDO1AGXTALDH1A1LMNA
SCHEMBL18229700 0.77 IDO1 (0.33) TSHRIDO1AGXTALDH1A1LMNA
SCHEMBL18229704 0.77 CA1 (0.39) TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL19829058 0.76 TSHR (0.36) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL17963379 0.76 TSHR (0.43) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL10780111 0.76 SGMS2 (0.44) TSHRIDO1AGXTALDH1A1SLC6A2

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
EP-3275875-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.p.A. (IT) 2018-01-31 EP 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 199/4885TP53 4103/4885
US-20180134724-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF OMACETAXINE AND CEPHALOTAXINE DERIVATIVES THEREOF MAOB, MAOA, NISCH TSHR 3247/4885IDO1 199/4885TP53 4103/4885

“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.