SCHEMBL20100939

SCHEMBL20100939

Cc1ccc(C(=O)O[Si](C)(C)C(C)(C)C)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MAPT P10636 3/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PKM P14618 2/20 0.41
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MITF O75030 1/20 0.38
POLB P06746 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL20105087 0.84 DRD2 (0.38) KMT2AMAPTRAB9AALOX15ALDH1A1
SCHEMBL20100951 0.84 NOTUM (0.45) KMT2AMAPTHTTSMN1; SMN2RAB9A
SCHEMBL20100933 0.81 TDP1 (0.52) KMT2AMAPTCES2CES1HTT
SCHEMBL10126374 0.77 CA12 (0.52) KMT2AMAPTHTTSMN1; SMN2NPC1
SCHEMBL11957417 0.76 LMNA (0.49) KMT2AMAPTNPC1RAB9APKM
SCHEMBL7557304 0.75 TDP1 (0.52) KMT2AMAPTSMN1; SMN2PKMLMNA
SCHEMBL13948752 0.75 GABRA1 (0.48) KMT2AMAPTCES2CES1HTT
SCHEMBL15505388 0.75 ALDH1A1 (0.36) MAPTSMN1; SMN2TSHRALDH1A1
SCHEMBL19543240 0.75 ALDH1A1 (0.48) KMT2AMAPTHTTSMN1; SMN2NPC1
SCHEMBL16328932 0.75 CA1 (0.56) KMT2AMAPTCES2CES1HTT

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 KMT2A 4075/4885MAPT 4553/4885CES2 1491/4885

“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.