SCHEMBL20832199

SCHEMBL20832199

C#CCOP(=O)(OC)Oc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.65
KDM4E B2RXH2 7/20 0.65
GAA P10253 5/20 0.65
GLA P06280 4/20 0.65
TSHR P16473 1/20 0.65
MAOA P21397 3/20 0.56
MAOB P27338 3/20 0.56
HPGD P15428 4/20 0.54
HSD17B10 Q99714 4/20 0.54
ALDH2 P05091 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA12 O43570 1/20 0.51
CA4 P22748 1/20 0.51
CA9 Q16790 1/20 0.51
KMT2A Q03164 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CASP3 P42574 2/20 0.48
SENP8 Q96LD8 2/20 0.48

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
SCHEMBL20832202 0.90 ALDH1A1 (0.64) ALDH1A1KDM4EGAAGLATSHR
SCHEMBL1023154 0.86 ALDH1A1 (0.68) ALDH1A1KDM4EGAAGLATSHR
SCHEMBL20703812 0.82 ALDH1A1 (0.69) ALDH1A1KDM4EGAAGLATSHR
SCHEMBL20710799 0.80 ALDH1A1 (0.59) ALDH1A1KDM4EGAAGLATSHR
SCHEMBL20832201 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EGAAGLATSHR
Giparmen SCHEMBL2109323 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EGAAGLATSHR
SCHEMBL6679222 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGAAGLATSHR
SCHEMBL29374108 0.75 ALDH1A1 (0.59) ALDH1A1KDM4EGAAGLATSHR
SCHEMBL7613054 0.74 ALDH1A1 (0.60) ALDH1A1KDM4EGAAGLATSHR
SCHEMBL140039 0.74 ALDH1A1 (0.66) ALDH1A1KDM4EGAAGLATSHR

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-11169152-B2 Function-based probes for environmental microbiome analysis and methods of making and using the same BATTELLE MEMORIAL INSTITUTE (US) 2021-11-09 US disclosed
WO-2019053700-A2 FUNCTION-BASED PROBES FOR ENVIRONMENTAL MICROBIOME ANALYSIS AND METHODS OF MAKING AND USING THE SAME BATTELLE MEMORIAL INSTITUTE (US) 2019-03-21 WO disclosed
WO-2019055876-A2 FUNCTION-BASED PROBES FOR ENVIRONMENTAL MICROBIOME ANALYSIS AND METHODS OF MAKING AND USING THE SAME BATTELLE MEMORIAL INSTITUTE (US) 2019-03-21 WO disclosed
US-20190086410-A1 FUNCTION-BASED PROBES FOR ENVIRONMENTAL MICROBIOME ANALYSIS AND METHODS OF MAKING AND USING THE SAME BATTELLE MEMORIAL INSTITUTE 2019-03-21 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 (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-11169152-B2 Function-based probes for environmental microbiome analysis and methods of making and using the same CHIT1, ENGASE, GUSB ALDH1A1 2522/4885KDM4E 2251/4885GAA 433/4885

“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.