Citric Acid

Citric Acid

SCHEMBL2967035

CN(C)CC1CC2(CCC1(O)c1ccc(C(F)(F)F)cc1)OCCc1c2oc2ccccc12.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACVR1ADORA1ADORA2AADORA2BADORA3ESR1ESR2FLT3GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSC1HRH1HTR7IDH1IDH2IRAK1JAK1JAK2JAK3MEN1OPRM1P2RX3PDE5ASCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASIGMAR1SLC6A2SYKTACR1TOP2ATYK2

The experimentally established mechanism targets of Citric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.30
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
OPRK1 P41145 4/20 0.31
OPRD1 P41143 3/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LSS P48449 1/20 0.31

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
Citric Acid SCHEMBL2969460 0.93 ALDH1A1 (0.36) LMNAOPRK1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL2965781 0.91 LMNA (0.46) LMNAGAAOPRK1OPRD1ALDH1A1
Citric Acid SCHEMBL2966707 0.90 OPRK1 (0.31) OPRK1OPRD1ALDH1A1SMN1; SMN2
Citric Acid SCHEMBL2974669 0.88 OPRM1 (0.38) OPRK1OPRD1OPRM1
Citric Acid SCHEMBL2970032 0.86 KDM4E (0.32) LMNA
Citric Acid SCHEMBL2964283 0.85 LMNA (0.40) LMNAGAAOPRK1OPRD1ALDH1A1
SCHEMBL2970393 0.84 ALDH1A1 (0.43) OPRK1OPRD1ALDH1A1SMN1; SMN2OPRM1
SCHEMBL13202826 0.79 ALDH1A1 (0.35) LMNAGAAOPRK1OPRD1ALDH1A1
Citric Acid SCHEMBL2973300 0.78 ALDH1A1 (0.37) LMNAOPRK1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL2967057 0.77 OPRM1 (0.45) OPRK1OPRD1ALDH1A1SMN1; SMN2OPRM1

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-7776848-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2010-08-17 US claimed
EP-1778680-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2008-10-08 EP claimed
US-20070213351-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2007-09-13 US claimed
US-7776848-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2010-08-17 US disclosed
EP-1778680-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2008-10-08 EP disclosed
US-20070213351-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2007-09-13 US disclosed
EP-1778680-A2 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2007-05-02 EP disclosed
WO-2006018184-A2 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2006-02-23 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 (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-20070213351-A1 Spirocyclic cyclohexane compounds PKD1, PKD2, NR3C2 OPRM1 768/4885LMNA 355/4885GAA 396/4885

“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.