SCHEMBL3296090

SCHEMBL3296090

COc1ccc(CC2OCCO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
IDO1 P14902 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
CALM1 P0DP23 1/20 0.43
TLR9 Q9NR96 1/20 0.43

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
SCHEMBL560358 0.81 ALDH1A1 (0.42) ALDH1A1HPGDCALM1
SCHEMBL27950339 0.79 EED (0.50) IDO1ALDH1A1
SCHEMBL28335303 0.78 PKM (0.49) GLANPSR1IDO1ALDH1A1MAPT
SCHEMBL4821864 0.78 PKM (0.49) GLANPSR1IDO1ALDH1A1MAPT
SCHEMBL29911017 0.78 LPL (0.40) SMN1; SMN2IDO1ALDH1A1
SCHEMBL21154704 0.78 ALDH1A1 (0.40) NPSR1SMN1; SMN2IDO1ALDH1A1HPGD
SCHEMBL9840578 0.77 PKM (0.51) ALDH1A1GAAMAPTHPGD
SCHEMBL29910924 0.77 CA2 (0.58)
SCHEMBL21155257 0.75 ESR1 (0.44) IDO1ALDH1A1
SCHEMBL14166113 0.75 TSHR (0.39) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115010693-A Preparation method of aryl acetaldehyde aldehyde 长沙资材科技有限公司 2022-09-06 CN disclosed
CN-103562198-A Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMA SPA 2014-02-05 CN disclosed
EP-2215099-A1 PROBE FOR MEASURING PHYTASE ACTIVITY Berry & Associates , Inc. (US) 2010-08-11 EP disclosed
US-7741506-B2 Probe for measuring phytase activity BERRY & ASSOCIATES, INC. (US) 2010-06-22 US disclosed
US-20100048802-A1 TRIPHENYL MONOMERS SUITABLE FOR MICROSTRUCTURED OPTICAL FILMS 3M INNOVATIVE PROPERTIES COMPANY 2010-02-25 US disclosed
WO-2009061393-A1 PROBE FOR MEASURING PHYTASE ACTIVITY BERRY & ASSOCIATES, INC. (US) 2009-05-14 WO disclosed
US-20080132713-A1 Probe for measuring phytase activity BERRY & ASSOCIATES, INC. 2008-06-05 US disclosed
US-20060241308-A1 Probe for measuring phytase activity BERRY & ASSOCIATES, INC. 2006-10-26 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-20080132713-A1 Probe for measuring phytase activity IP6K3, HRH3, DNPH1 GLA 315/4885NPSR1 3872/4885SMN1; SMN2 3724/4885
US-20060241308-A1 Probe for measuring phytase activity IP6K3, PHYKPL, IP6K2 GLA 498/4885NPSR1 3351/4885SMN1; SMN2 4090/4885

“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.