SCHEMBL2165899

SCHEMBL2165899

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nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 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
SCHEMBL31688074 1.00 TSHR (0.39) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL9615770 0.82 TSHR (0.55) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL2106256 0.82 ALDH1A1 (0.55) TSHRALDH1A1
SCHEMBL31688091 0.74 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9872776 0.74 TSHR (0.46) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL31688088 0.74 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL23249568 0.72 TSHR (0.44) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL29864729 0.72 TSHR (0.44) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL23249565 0.72 TSHR (0.44) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL31688063 0.72 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383274-B2 Nonaqueous electrolyte solution for lithium battery, lithium battery using same, and formyloxy group-containing compound used therein UBE INDUSTRIES, LTD. (JP) 2013-02-26 US disclosed
US-20110183199-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN UBE INDUSTRIES, LTD. (JP) 2011-07-28 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-20110183199-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN HCN2, KCNN2, KCNB1 TSHR 3056/4885ALDH1A1 2190/4885CHRM2 1866/4885

“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.