SCHEMBL5035241

SCHEMBL5035241

CCOc1ccc(C(OCC)c2c(C)n(C(C)C)[nH]c2=O)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
HSD17B10 Q99714 2/20 0.35
ESR2 Q92731 1/20 0.35
FFAR1 O14842 1/20 0.34
ACACB O00763 2/20 0.33
ALDH1A1 P00352 3/20 0.33
PKM P14618 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
GPR88 Q9GZN0 1/20 0.32
P2RX7 Q99572 4/20 0.31
TYMS P04818 1/20 0.31
GAA P10253 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3745941 0.93 ATM (0.34) MAPTFFAR1POLBMEN1KMT2A
SCHEMBL5028711 0.92 POLB (0.32) FFAR1ALDH1A1POLBP2RX7
SCHEMBL5030915 0.89 GPR139 (0.30)
SCHEMBL14285919 0.88 MAPT (0.37) MAPTHSD17B10ESR2FFAR1ACACB
SCHEMBL14626449 0.86 MAPT (0.36) MAPTHSD17B10ESR2FFAR1ACACB
SCHEMBL5035229 0.80 ALDH1A1 (0.38) MAPTFFAR1ACACBALDH1A1KMT2A
SCHEMBL5030916 0.79 MEN1 (0.32) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL14285900 0.76 GAA (0.36) MAPTHSD17B10ALDH1A1POLBKDM4E
SCHEMBL5033114 0.76 HSD17B10 (0.36) MAPTHSD17B10ESR2ACACBALDH1A1
SCHEMBL14285918 0.75 BRD4 (0.35) HSD17B10ALDH1A1KDM4EP2RX7HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes AJINOMOTO CO., INC. (JP) 2008-01-24 US disclosed
US-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes AJINOMOTO CO., INC. (JP) 2008-01-24 US disclosed
US-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes AJINOMOTO CO., INC. (JP) 2008-01-24 US disclosed
WO-2007010015-A1 PROCESSES FOR PREPARING PYRAZOLE-O-GLYCOSIDE DERIVATIVES AND NOVEL INTERMEDIATES OF SAID PROCESSES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-25 WO 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-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes CYP4B1, CYP1B1, CYP11B1 MAPT 4364/4885HSD17B10 1580/4885ESR2 2782/4885

“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.