SCHEMBL21756096

SCHEMBL21756096

O/N=C/c1ccc(C2CC2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
HPGD P15428 3/20 0.41
HTT P42858 2/20 0.41
SLC22A12 Q96S37 3/20 0.34
ALDH1A1 P00352 2/20 0.34
ESR2 Q92731 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC22A11 Q9NSA0 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRL1 P41146 1/20 0.34
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33

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
SCHEMBL27826197 1.00 KDM4E (0.44) KDM4EHPGDHTTSLC22A12ALDH1A1
Bromide SCHEMBL27826237 0.98 KDM4E (0.43) KDM4EHPGDHTTSLC22A12ALDH1A1
SCHEMBL4272121 0.81 HPGD (0.55) KDM4EHPGDHTTALDH1A1GRIN2D
SCHEMBL4272126 0.81 HPGD (0.55) KDM4EHPGDHTTALDH1A1GRIN2D
SCHEMBL4799723 0.78 HPGD (0.42) KDM4EHPGDHTTALDH1A1ESR2
SCHEMBL28606288 0.78 HPGD (0.42) KDM4EHPGDHTTALDH1A1ESR2
SCHEMBL21756097 0.77 MEN1 (0.39) KDM4EHTTSLC22A12ALDH1A1CYP1A2
SCHEMBL17548944 0.72 IDO1 (0.54) KDM4EHPGDHTTMEN1KMT2A
SCHEMBL17988288 0.72 IDO1 (0.54) KDM4EHPGDHTTMEN1KMT2A
SCHEMBL11949301 0.71 GRIN2D (0.60) KDM4EHPGDHTTALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062720-A1 NOVEL PREPARATION METHOD FOR ANTI-GOUT DRUG LESINURAD, AND KEY INTERMEDIATE THEREOF ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2020-02-27 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-20200062720-A1 NOVEL PREPARATION METHOD FOR ANTI-GOUT DRUG LESINURAD, AND KEY INTERMEDIATE THEREOF TXNRD3, TXNRD1, CBR3 KDM4E 700/4885HPGD 3053/4885HTT 1971/4885

“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.