SCHEMBL17592174

SCHEMBL17592174

CCCc1ccc2cc(C(=O)O)ccc2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.65
GRIN2A Q12879 1/20 0.65
GRIN2B Q13224 1/20 0.65
GRIN2C Q14957 1/20 0.65
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 2/20 0.50
TBXAS1 P24557 1/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RARB P10826 6/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PLK1 P53350 1/20 0.47
MEN1 O00255 1/20 0.46
RARA P10276 1/20 0.46
MAPT P10636 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
DHODH Q02127 1/20 0.46

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
SCHEMBL11071411 0.90 GRIN2D (0.70) GRIN2DGRIN2AGRIN2BGRIN2CALDH1A1
SCHEMBL10081274 0.88 GRIN2D (0.68) GRIN2DGRIN2AGRIN2BGRIN2CALDH1A1
SCHEMBL7331987 0.87 GRIN2D (0.67) GRIN2DGRIN2AGRIN2BGRIN2CALDH1A1
SCHEMBL8303752 0.87 GRIN2D (0.67) GRIN2DGRIN2AGRIN2BGRIN2CALDH1A1
SCHEMBL7342564 0.87 GRIN2D (0.67) GRIN2DGRIN2AGRIN2BGRIN2CALDH1A1
SCHEMBL2403600 0.87 GRIN2D (0.67) GRIN2DGRIN2AGRIN2BGRIN2CALDH1A1
Hydrochloric Acid SCHEMBL10716592 0.85 GRIN2D (0.65) GRIN2DGRIN2AGRIN2BGRIN2CALDH1A1
SCHEMBL5558051 0.85 ALDH1A1 (0.64) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL17592266 0.84 LCK (0.53) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL4206339 0.82 GRIN2D (0.60) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305859-A1 An Anticonvulsant Compound ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2017-10-26 US claimed
EP-3191088-A1 AN ANTICONVULSANT COMPOUND Royal Holloway And Bedford New College (GB) 2017-07-19 EP claimed
WO-2016038379-A1 AN ANTICONVULSANT COMPOUND ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2016-03-17 WO claimed
US-10301263-B2 Anticonvulsant compound ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2019-05-28 US disclosed
US-20170305859-A1 An Anticonvulsant Compound ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2017-10-26 US disclosed
US-20170305859-A1 An Anticonvulsant Compound ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2017-10-26 US disclosed
US-20170305859-A1 An Anticonvulsant Compound ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2017-10-26 US disclosed
EP-3191088-A1 AN ANTICONVULSANT COMPOUND Royal Holloway And Bedford New College (GB) 2017-07-19 EP disclosed
WO-2016038379-A1 AN ANTICONVULSANT COMPOUND ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2016-03-17 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 (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-20170305859-A1 An Anticonvulsant Compound PSEN2, BACE2, APP GRIN2D 107/4885GRIN2A 34/4885GRIN2B 43/4885
US-10301263-B2 Anticonvulsant compound PSEN2, BACE2, APP GRIN2D 70/4885GRIN2A 42/4885GRIN2B 41/4885

“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.