SCHEMBL5035229

SCHEMBL5035229

CCOc1ccc(C(OCC)c2c(C)n(C(C)C)[nH]c2=O)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 6/20 0.34
MAPT P10636 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
FFAR1 O14842 1/20 0.34
P2RX3 P56373 5/20 0.33
ACACB O00763 1/20 0.33
CYP2C9 P11712 1/20 0.33
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM1A O60341 2/20 0.32

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
SCHEMBL5031758 0.91 P2RX3 (0.36) ALDH1A1GAAMAPTSMN1; SMN2P2RX3
SCHEMBL14285916 0.88 ALDH1A1 (0.40) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL14626457 0.86 ALDH1A1 (0.39) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL5035241 0.80 MAPT (0.35) ALDH1A1GAAMAPTSMN1; SMN2FFAR1
SCHEMBL5030915 0.79 GPR139 (0.30)
SCHEMBL5030916 0.78 MEN1 (0.32) ALDH1A1GAAMAPTKMT2APDE4A
SCHEMBL3745941 0.77 ATM (0.34) GAAMAPTFFAR1KMT2A
SCHEMBL5028711 0.76 POLB (0.32) ALDH1A1LMNAFFAR1P2RX3
SCHEMBL5031785 0.75 P2RX3 (0.38) ALDH1A1LMNASMN1; SMN2P2RX3KDM1A
SCHEMBL14285915 0.74 ALDH1A1 (0.38) ALDH1A1GAAMAPTSMN1; SMN2P2RX3

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 ALDH1A1 622/4885LMNA 971/4885GAA 368/4885

“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.