SCHEMBL4070484

SCHEMBL4070484

Cc1cc(C)c2[nH]c(=O)c(C=O)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52
KMT2A Q03164 3/20 0.46
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
MAPT P10636 2/20 0.39
MPI P34949 1/20 0.39

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
SCHEMBL17603345 0.83 GRIA1 (0.42) HSD17B10GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25425176 0.80 HSD17B10 (0.46) HSD17B10GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25425174 0.80 HSD17B10 (0.46) HSD17B10GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4071083 0.79 DAO (0.61) HSD17B10KMT2AGRIA1GRIA2GRIA3
SCHEMBL29951711 0.76 HSD17B10 (0.47) HSD17B10KMT2AGRIA1GRIA2GRIA3
SCHEMBL5449128 0.76 HSD17B10 (0.47) HSD17B10KMT2AGRIA1GRIA2GRIA3
SCHEMBL29956537 0.75 GRIA1 (0.53) HSD17B10GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4106429 0.74 DAO (0.60) HSD17B10KMT2AGRIA1GRIA2GRIA3
SCHEMBL17603468 0.73 KDM4E (0.60) HSD17B10GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25426966 0.72 HSD17B10 (0.49) HSD17B10GRIN2DGRIN3BGRIN1GRIN2A

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
US-12017994-B2 Compounds, compositions, and methods for selectively inhibiting β-glucuronidases and alleviating side effects associated with drug treatment induced diarrhea SYMBERIX, INC. (US) 2024-06-25 US disclosed
US-12017994-B2 Compounds, compositions, and methods for selectively inhibiting β-glucuronidases and alleviating side effects associated with drug treatment induced diarrhea SYMBERIX, INC. (US) 2024-06-25 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20210094917-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR SELECTIVELY INHIBITING B-GLUCURONIDASES AND ALLEVIATING SIDE EFFECTS ASSOCIATED WITH DRUG TREATMENT INDUCED DIARRHEA SYMBERIX, INC. 2021-04-01 US disclosed
WO-2019051185-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR SELECTIVELY INHIBITING β-GLUCURONIDASES AND ALLEVIATING SIDE EFFECTS ASSOCIATED WITH DRUG TREATMENT INDUCED DIARRHEA SYMBERIX, INC. (US) 2019-03-14 WO disclosed
EP-2040711-A2 2-OXO-1,2-DIHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS Amphora Discovery Corporation (US) 2009-04-01 EP disclosed
US-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 US disclosed
WO-2007136592-A2 2-0X0-L,2-DIHYDR0QUIN0LINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS AMPHORA DISCOVERY CORPORATION (US) 2007-11-29 WO 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 (3 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-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof ABCG2, ATP5ME, ATP5MG HSD17B10 1580/4885GRIN2D 4502/4885GRIN3B 4049/4885
US-12017994-B2 Compounds, compositions, and methods for selectively inhibiting β-glucuronidases and alleviating side effects associated with drug treatment induced diarrhea GUSB, SI, ENGASE HSD17B10 305/4885GRIN2D 1838/4885GRIN3B 1004/4885
US-20210094917-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR SELECTIVELY INHIBITING B-GLUCURONIDASES AND ALLEVIATING SIDE EFFECTS ASSOCIATED WITH DRUG TREATMENT INDUCED DIARRHEA GUSB, SI, UGT2B7 HSD17B10 351/4885GRIN2D 2177/4885GRIN3B 951/4885

“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.