SCHEMBL6465971

SCHEMBL6465971

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nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 5/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
KCNH2 Q12809 1/20 0.34
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
GSK3B P49841 1/20 0.33
DAO P14920 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
SCHEMBL6468072 0.71 KCNH2 (0.31) KCNH2
SCHEMBL6463169 0.71 KCNH2 (0.31) KCNH2
SCHEMBL11619011 0.66 CES2 (0.47) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL28159836 0.65 NPC1 (0.42) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL15120382 0.64 CES2 (0.56) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL29232767 0.64 ALDH1A1 (0.46) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL3732383 0.62 CES2 (0.58) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL3181932 0.62 CES2 (0.58) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL27923715 0.62 CYP2C19 (0.53) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
Triacetin SCHEMBL28159835 0.62 ALDH1A1 (0.43) NPC1RAB9AALDH1A1HPGDSMN1; SMN2

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-20050004044-A1 Use of orsaponin [3beta, 16beta, 17 alpha-trihydroxycholost-5-en-22-one 16-0-(2-0-4-methoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-(2-0-acetyl-alpha-L-arabinopyranoside)] or OSW-1 and its derivatives for cancer therapeutics BOARD OF REGENTS 2005-01-06 US disclosed
US-6753414-B2 PREPARING NATURALLY OCCURRING SAPONINS SUCH AS OSW-L UNIVERSITY OF IOWA RESEARCH FOUNDATION, INC. 2004-06-22 US disclosed
US-20030069214-A1 Process for preparing saponin compounds UNIVERSITY OF IOWA RESEARCH FOUNDATION 2003-04-10 US 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-20030069214-A1 Process for preparing saponin compounds LSS, CYP51A1, CYP4F11 NPC1 305/4885RAB9A 668/4885ALDH1A1 1740/4885
US-20050004044-A1 Use of orsaponin [3beta, 16beta, 17 alpha-trihydroxycholost-5-en-22-one 16-0-(2-0-4-methoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-(2-0-acetyl-alpha-L-arabinopyranoside)] or OSW-1 and its derivatives for cancer therapeutics OSBP2, OSBP, OSBPL3 NPC1 3107/4885RAB9A 4139/4885ALDH1A1 844/4885

“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.