SCHEMBL16624376

SCHEMBL16624376

Cc1cc(OCCCO[Si](C)(C)C(C)(C)C)ccc1CCl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDIA6 Q15084 1/20 0.38
DUT P33316 1/20 0.35
NPC1 O15118 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 2/20 0.33
PPARG P37231 3/20 0.33
PPARD Q03181 3/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
TP53 P04637 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
SCHEMBL16624370 0.86 PDIA6 (0.38) PDIA6DUTNPC1MEN1KMT2A
SCHEMBL16616578 0.84 APLNR (0.36) DUTMAPTKDM4E
SCHEMBL16624375 0.80 MAPT (0.43) PDIA6DUTNPC1MEN1KMT2A
SCHEMBL10604252 0.78 PDIA6 (0.42) PDIA6NPC1MEN1KMT2ARAB9A
SCHEMBL9934160 0.76 ALDH1A1 (0.37) PDIA6DUTKMT2ASMN1; SMN2MAPT
SCHEMBL16624349 0.75 PPARG (0.38) PDIA6PPARGPPARDTSHRPPARA
SCHEMBL10607360 0.75 NR5A1 (0.46) PDIA6MAPTKDM4ECYP1A2CYP3A4
SCHEMBL10604603 0.75 ACACB (0.43) PDIA6MEN1KMT2AMAPTKDM4E
SCHEMBL16624352 0.74 DHFR (0.39) KMT2AMAPT
SCHEMBL10605692 0.74 NR5A1 (0.49) PDIA6MAPTKDM4ECYP1A2CYP3A4

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-20160251319-A1 CARBOXYLIC ACID COMPOUNDS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-09-01 US disclosed
US-9376398-B2 Carboxylic acid compounds SUMITOMO DAINIPPON PHARMA CO., LTD (JP) 2016-06-28 US disclosed
US-20150099770-A1 CARBOXYLIC ACID COMPOUNDS Sumitomo Pharma Co., Ltd. (JP) 2015-04-09 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-20150099770-A1 CARBOXYLIC ACID COMPOUNDS C9, SUCNR1, C3AR1 PDIA6 4077/4885DUT 2738/4885NPC1 924/4885
US-20160251319-A1 CARBOXYLIC ACID COMPOUNDS C9, SUCNR1, C3AR1 PDIA6 4077/4885DUT 2738/4885NPC1 924/4885

“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.