SCHEMBL16319093

SCHEMBL16319093

CC(C)(C)[Si](C)(C)OCc1nc(-c2ccc(C(F)(F)F)cc2)cs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.65
ALDH1A1 P00352 3/20 0.65
PPARD Q03181 1/20 0.49
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
LTA4H P09960 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL13140240 0.79 L3MBTL1 (0.60) L3MBTL1ALDH1A1PPARDRAB9ANPC1
SCHEMBL219652 0.77 RAB9A (0.44) L3MBTL1ALDH1A1PPARDRAB9ANPC1
SCHEMBL4729130 0.76 RAB9A (0.45) L3MBTL1ALDH1A1RAB9ANPC1CASP3
SCHEMBL4729100 0.76 RAB9A (0.43) L3MBTL1ALDH1A1RAB9ANPC1CASP3
SCHEMBL24675970 0.76 L3MBTL1 (0.36) L3MBTL1ALDH1A1RAB9ANPC1CASP3
SCHEMBL201719 0.76 L3MBTL1 (0.60) L3MBTL1ALDH1A1PPARDRAB9ANPC1
SCHEMBL4522401 0.76 L3MBTL1 (0.56) L3MBTL1ALDH1A1PPARDRAB9ANPC1
SCHEMBL14435495 0.76 LTA4H (0.60) L3MBTL1ALDH1A1PPARDRAB9ALTA4H
SCHEMBL204739 0.76 L3MBTL1 (0.56) L3MBTL1ALDH1A1PPARDRAB9ANPC1
SCHEMBL16318892 0.74 PPARD (0.41) L3MBTL1ALDH1A1PPARD

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-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 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 (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-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 L3MBTL1 4757/4885ALDH1A1 2085/4885PPARD 37/4885

“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.