SCHEMBL21664518

SCHEMBL21664518

O=C(O)[C@@H]1CC[C@@H](C(=O)O)[C@H](C(=O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.52
ACE P12821 1/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C1 Q04828 1/20 0.45
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
LMNA P02545 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
TSHR P16473 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42

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
SCHEMBL28799 1.00 GABRR1 (0.52) GABRR1ACEAKR1C3AKR1C1PLG
SCHEMBL2019219 1.00 GABRR1 (0.52) GABRR1ACEAKR1C3AKR1C1PLG
SCHEMBL9721284 1.00 GABRR1 (0.52) GABRR1ACEAKR1C3AKR1C1PLG
SCHEMBL2019218 1.00 GABRR1 (0.52) GABRR1ACEAKR1C3AKR1C1PLG
SCHEMBL9249263 1.00 GABRR1 (0.52) GABRR1ACEAKR1C3AKR1C1PLG
Hydrochloric Acid SCHEMBL28557936 0.97 GABRR1 (0.50) GABRR1ACEAKR1C3AKR1C1PLG
SCHEMBL16405082 0.89 GABRR1 (0.42) GABRR1ACEAKR1C3AKR1C1SLC1A2
SCHEMBL1963027 0.88 GABRR1 (0.58) GABRR1ACELMNAGABRPGABRD
Hydrochloric Acid SCHEMBL3795818 0.85 GABRR1 (0.55) GABRR1ACEAKR1C3AKR1C1LMNA
SCHEMBL21641650 0.85 GABRR1 (0.44) GABRR1ACEAKR1C3AKR1C1PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604265-B1 METHOD FOR PRODUCING CIS,CIS-1,2,4-CYCLOHEXANE TRICARBOXYLIC ACID CRYSTAL MITSUBISHI GAS CHEMICAL CO (JP) 2021-10-20 EP disclosed
US-11021428-B2 Method for producing cis,cis-1,2,4-cyclohexane tricarboxylic acid crystal MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-06-01 US disclosed
US-20200317596-A1 METHOD FOR PRODUCING CIS,CIS-1,2,4-CYCLOHEXANE TRICARBOXYLIC ACID CRYSTAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-10-08 US disclosed
EP-3604265-A1 METHOD FOR PRODUCING cis,cis-1,2,4-CYCLOHEXANE TRICARBOXYLIC ACID CRYSTAL Mitsubishi Gas Chemical Company, Inc. (JP) 2020-02-05 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 (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-11021428-B2 Method for producing cis,cis-1,2,4-cyclohexane tricarboxylic acid crystal SLC16A1, CA1, RCC1 GABRR1 3475/4885ACE 661/4885AKR1C3 144/4885
US-20200317596-A1 METHOD FOR PRODUCING CIS,CIS-1,2,4-CYCLOHEXANE TRICARBOXYLIC ACID CRYSTAL SLC16A1, CA1, RCC1 GABRR1 3475/4885ACE 661/4885AKR1C3 144/4885

“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.