SCHEMBL20100933

SCHEMBL20100933

Cc1ccc(C(=O)O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 7/20 0.43
LMNA P02545 2/20 0.43
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
PKM P14618 3/20 0.39
HTT P42858 2/20 0.39
ATM Q13315 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 1/20 0.39
NLRP1 Q9C000 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
NTSR1 P30989 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL10126374 0.85 CA12 (0.52) TDP1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL11957417 0.84 LMNA (0.49) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL7557304 0.83 TDP1 (0.52) TDP1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL16328932 0.82 CA1 (0.56) TDP1ALDH1A1LMNACES2CES1
SCHEMBL1604136 0.82 PREP (0.44) TDP1MAPTL3MBTL1
SCHEMBL19543240 0.82 ALDH1A1 (0.48) TDP1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL17662586 0.81 POLB (0.43) ALDH1A1LMNAMAPTSMN1; SMN2NPC1
SCHEMBL20100939 0.81 KMT2A (0.47) ALDH1A1LMNACES2CES1MAPT
SCHEMBL8245428 0.81 ALDH1A1 (0.56) ALDH1A1MAPTKMT2A
SCHEMBL11957482 0.81 CA1 (0.38) TDP1ALDH1A1MAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180116993-A1 MODULATORS OF FARNESOID X RECEPTOR AND METHODS FOR THE USE THEREOF XIAMEN UNIVERSITY (CN) 2018-05-03 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 (1 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-20180116993-A1 MODULATORS OF FARNESOID X RECEPTOR AND METHODS FOR THE USE THEREOF NR1H4, FABP1, NR1H2 TDP1 4649/4885ALDH1A1 1964/4885LMNA 3367/4885

“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.