SCHEMBL4553189

SCHEMBL4553189

O=C(O)C1CCC(C(=O)O)(C(=O)O)C(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 6/20 0.47
CYP2C19 P33261 4/20 0.47
CYP1A2 P05177 3/20 0.47
GRM2 Q14416 2/20 0.47
GRM3 Q14832 2/20 0.47
ALOX15 P16050 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
GRM8 O00222 2/20 0.47
GRM6 O15303 2/20 0.47
LMNA P02545 1/20 0.47
GRM5 P41594 1/20 0.47
MTOR P42345 1/20 0.47
GRM1 Q13255 1/20 0.47
PLCB1 Q9NQ66 1/20 0.47
TSHR P16473 1/20 0.47
SLC6A4 P31645 1/20 0.46
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GABRR1 P24046 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL8011896 0.82 GRM2 (0.36) GRM4CYP2C19CYP1A2GRM2GRM3
SCHEMBL28389742 0.82 TSHR (0.46) GRM4CYP2C19CYP1A2GRM2GRM3
SCHEMBL1462453 0.80 SLC1A2 (0.41) GRM4CYP2C19CYP1A2GRM2GRM3
SCHEMBL4755338 0.78 SLC6A4 (0.59) GRM4CYP2C19CYP1A2GRM2GRM3
Hydrochloric Acid SCHEMBL25404306 0.78 SLC1A2 (0.39) GRM4CYP2C19CYP1A2GRM2GRM3
SCHEMBL2406817 0.77 TSHR (0.44) GRM4CYP2C19CYP1A2GRM2GRM3
SCHEMBL9513963 0.76 GRM2 (0.44) GRM4CYP2C19CYP1A2GRM2GRM3
SCHEMBL988351 0.71 GRM4 (0.38) GRM4CYP2C19CYP1A2GRM2GRM3
Hydrochloric Acid SCHEMBL3267782 0.70 GRM4 (0.36) GRM4CYP2C19CYP1A2GRM2GRM3
Hydrochloric Acid SCHEMBL628181 0.70 GRM4 (0.36) GRM4CYP2C19CYP1A2GRM2GRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3144294-B1 THICKENING STABILIZER AND THICKENING STABILIZATION COMPOSITION USING SAME DAICEL CORP (JP) 2019-05-01 EP disclosed
US-10065923-B2 Thickening stabilizer and thickening stabilization composition using same DAICEL CORPORATION (JP) 2018-09-04 US disclosed
US-20170158619-A1 THICKENING STABILIZER AND THICKENING STABILIZATION COMPOSITION USING SAME DAICEL CORPORATION (JP) 2017-06-08 US disclosed
EP-3144294-A1 THICKENING STABILIZER AND THICKENING STABILIZATION COMPOSITION USING SAME Daicel Corporation (JP) 2017-03-22 EP disclosed
US-20090029072-A1 Polyimide Resin Composition, Liquid Crystal Alignment Film using Same and Liquid Crystal Display using Such Liquid Crystal Alignment Film HITACHI CABLE, LTD. (JP) 2009-01-29 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-10065923-B2 Thickening stabilizer and thickening stabilization composition using same CCNA1, CCNT1, GRN GRM4 3680/4885CYP2C19 3952/4885CYP1A2 2134/4885
US-20170158619-A1 THICKENING STABILIZER AND THICKENING STABILIZATION COMPOSITION USING SAME CCNA1, CCNT1, GRN GRM4 3231/4885CYP2C19 4075/4885CYP1A2 1771/4885

“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.