SCHEMBL23484653

SCHEMBL23484653

C1=C(c2cccc(N3CCCCC3)c2)CCC2(C1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 10/20 0.38
HSD17B10 Q99714 10/20 0.38
ALDH1A1 P00352 8/20 0.38
CYP1A2 P05177 7/20 0.38
CYP2D6 P10635 6/20 0.38
CYP3A4 P08684 6/20 0.38
MAPK1 P28482 6/20 0.38
TP53 P04637 3/20 0.38
TSHR P16473 2/20 0.38
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
PRMT6 Q96LA8 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SUV39H2 Q9H5I1 1/20 0.37
AGXT P21549 1/20 0.35
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
HPGD P15428 4/20 0.35

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
SCHEMBL612703 0.84 LGMN (0.37) USP2HSD17B10ALDH1A1CYP1A2CYP2D6
SCHEMBL22817138 0.82 SUV39H2 (0.33) USP2HSD17B10ALDH1A1CYP1A2CYP2D6
SCHEMBL12208682 0.76 IKBKE (0.41) ALDH1A1CYP1A2CYP3A4MAPK1CYP2C9
SCHEMBL731260 0.76 ALDH1A1 (0.41) USP2HSD17B10ALDH1A1MAPK1TSHR
SCHEMBL20010985 0.76 HTR2C (0.47) TSHRSUV39H2IKBKETBK1HTR7
SCHEMBL15945568 0.76 LMNA (0.41) HSD17B10ALDH1A1MAPK1TSHRSMN1; SMN2
SCHEMBL14403246 0.74 TBK1 (0.43) SUV39H2IKBKETBK1
SCHEMBL22816237 0.73 LGMN (0.38) USP2HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL13804695 0.73 CLK4 (0.38) SUV39H2IKBKETBK1
SCHEMBL22816721 0.73 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KMT2ASUV39H2IKBKE

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-11384055-B2 Glycolate oxidase inhibitors for the treatment of disease BIOMARIN PHARMACEUTICAL INC. (US) 2022-07-12 US disclosed
US-20210171474-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2021-06-10 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-11384055-B2 Glycolate oxidase inhibitors for the treatment of disease XDH, PNPO, AGXT USP2 1874/4885HSD17B10 296/4885ALDH1A1 481/4885
US-20210171474-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE XDH, PNPO, AGXT USP2 1874/4885HSD17B10 296/4885ALDH1A1 481/4885

“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.