SCHEMBL16624370

SCHEMBL16624370

Cc1cc(OCCCO[Si](C)(C)C(C)(C)C)ccc1CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDIA6 Q15084 1/20 0.38
DUT P33316 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARG P37231 4/20 0.34
PPARD Q03181 4/20 0.34
PPARA Q07869 3/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34

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
SCHEMBL16624376 0.86 PDIA6 (0.38) PDIA6DUTTP53GAAMEN1
SCHEMBL3696112 0.84 PDCD1 (0.36) DUT
SCHEMBL22887496 0.80 CA12 (0.43) MEN1KMT2AKDM4ES1PR1GRIN1
SCHEMBL16624375 0.80 MAPT (0.43) PDIA6DUTMEN1KMT2ANPC1
SCHEMBL1629693 0.79 HRH3 (0.43) DUTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL16624349 0.78 PPARG (0.38) PDIA6PPARGPPARDPPARA
SCHEMBL16624352 0.77 DHFR (0.39) KMT2AMAPTSLC5A1
SCHEMBL3079743 0.76 DUT (0.36) DUTPPARG
SCHEMBL9934160 0.76 ALDH1A1 (0.37) PDIA6DUTTP53GAAKMT2A
SCHEMBL1627357 0.76 HRH3 (0.43) DUTGAASMN1; SMN2CYP3A4PPARG

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 2738/4885TP53 103/4885
US-20160251319-A1 CARBOXYLIC ACID COMPOUNDS C9, SUCNR1, C3AR1 PDIA6 4077/4885DUT 2738/4885TP53 103/4885

“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.