SCHEMBL6018573

SCHEMBL6018573

CC(C)(C)OC(=O)c1cc(CN)c(C(=O)O)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.37
SLC7A5 Q01650 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36
HMGB1 P09429 1/20 0.35
CXCL12 P48061 1/20 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
SCHEMBL6018228 0.88 ALDH1A1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27492829 0.82 GRM6 (0.42) GRM6SLC7A5GABRPGABRDGABRA1
SCHEMBL27667093 0.79 GABRP (0.36) GRM6SLC7A5GABRPGABRDGABRA1
SCHEMBL7348114 0.77 KDM4E (0.45) GRM6SLC7A5GABRPGABRDGABRA1
SCHEMBL4838670 0.75 ALDH1A1 (0.41) GRM6SLC7A5HSD17B10TSHRMEN1
SCHEMBL3183313 0.75 GRM6 (0.47) GRM6SLC7A5GABRPGABRDGABRA1
SCHEMBL6648807 0.75 GRM6 (0.46) GRM6SLC7A5GABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL4838664 0.74 ALDH1A1 (0.41) GRM6SLC7A5HSD17B10TSHRMEN1
SCHEMBL1415186 0.74 NR4A1 (0.44) GRM6GABRPGABRDGABRA1GABRB1
SCHEMBL1415184 0.73 GABRP (0.44) GRM6GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098215-B2 Nitrogenous compounds and antiviral drugs containing the same KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-08-29 US disclosed
US-20040092556-A1 Nitrogenous compounds and antiviral drugs containing the same KUREHA CORPORATION (JP) 2004-05-13 US disclosed
EP-1273571-A1 NITROGENOUS COMPOUNDS AND ANTIVIRAL DRUGS CONTAINING THE SAME Kureha Chemical Industry Co., Ltd. (JP) 2003-01-08 EP 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-20040092556-A1 Nitrogenous compounds and antiviral drugs containing the same NSUN2, ZC3HAV1L, PNP GRM6 2861/4885SLC7A5 1095/4885GABRP 3261/4885

“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.