SCHEMBL16508366

SCHEMBL16508366

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nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.32
KDM4E B2RXH2 2/20 0.30

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
SCHEMBL19263925 1.00 TDP1 (0.43) TDP1MAPK1HSD17B10LMNAL3MBTL1
SCHEMBL10866121 0.86 LMNA (0.43) TDP1MAPK1HSD17B10LMNAL3MBTL1
SCHEMBL25382424 0.85 TSHR (0.38) TDP1LMNAL3MBTL1TSHRKDM4E
SCHEMBL21136347 0.83 LMNA (0.36) TDP1MAPK1LMNAL3MBTL1TSHR
SCHEMBL6249346 0.82 TDP1 (0.38) TDP1MAPK1HSD17B10LMNA
SCHEMBL17917003 0.81 TDP1 (0.33) TDP1LMNAL3MBTL1
SCHEMBL17898232 0.81 TDP1 (0.36) TDP1MAPK1HSD17B10
SCHEMBL1959442 0.80 TDP1 (0.43) TDP1MAPK1HSD17B10LMNATSHR
SCHEMBL15780471 0.80 TDP1 (0.43) TDP1MAPK1HSD17B10LMNATSHR
Propylene Glycol SCHEMBL5833472 0.80 TDP1 (0.50) TDP1MAPK1HSD17B10LMNATSHR

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-20170283450-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS AND USES THEREOF MEMORIAL SLOAN-KETTERING INST FOR CANCER RES (US) 2017-10-05 US disclosed
US-9718850-B2 Triterpene saponins, methods of synthesis and uses thereof MEMORIAL SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-08-01 US disclosed
US-20110300177-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS, AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-12-08 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-20110300177-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS, AND USES THEREOF LSS, CYP51A1, TLR7 TDP1 1614/4885MAPK1 2601/4885HSD17B10 1727/4885
US-20170283450-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS AND USES THEREOF LSS, CYP51A1, TLR7 TDP1 1513/4885MAPK1 2595/4885HSD17B10 1813/4885

“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.