SCHEMBL3149508

SCHEMBL3149508

[CH2]C(O)(CC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HMGCR P04035 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
ADRA1A P35348 1/20 0.46
TSHR P16473 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
ACLY P53396 3/20 0.42
CPT2 P23786 1/20 0.41
TET2 Q6N021 2/20 0.36
KDM4E B2RXH2 1/20 0.33

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 SCHEMBL7921329 0.73 ALDH1A1 (0.94) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL6878945 0.73
Citric Acid SCHEMBL28304336 0.71 ALDH1A1 (0.88) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL28544352 0.71 ALDH1A1 (0.88) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL952444 0.71 ALDH1A1 (0.88) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL27500370 0.71 ALDH1A1 (0.88) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL8777502 0.71
Citric Acid SCHEMBL2034627 0.71 ALDH1A1 (0.88) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL1045797 0.71
Citric Acid SCHEMBL1332229 0.69 ALDH1A1 (1.00) ALDH1A1HMGCRCHRM1TBXA2RADRA1A

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
EP-1434761-B1 SALTS OF GUANIDINE DERIVATIVES AND PHARMACEUTICAL PREPARATIONS CONSISTING THEREOF BIOSPHINGS AG (DE) 2010-02-24 EP claimed
CN-100488946-C Salts of guanidine derivatives and its pharmaceutical preparations composition BIOSPHINGS AG (DE) 2009-05-20 CN claimed
US-7078566-B2 Salts of guanidine derivatives and pharmaceutical preparations consisting thereof BIOSPHINKS AKTIENGESELLSCHAFT (DE) 2006-07-18 US claimed
CN-1568308-A Salts of guanidine derivatives and pharmaceutical preparations consisting thereof BIOSPHINGS AG (DE) 2005-01-19 CN claimed
US-20040192717-A1 Salts of guanidine derivatives and pharmaceutical preparations consisting thereof BIOSPHINGS AKTIENGESELLSCHAFT (DE) 2004-09-30 US claimed
CN-100488946-C Salts of guanidine derivatives and its pharmaceutical preparations composition BIOSPHINGS AG (DE) 2009-05-20 CN disclosed
US-7078566-B2 Salts of guanidine derivatives and pharmaceutical preparations consisting thereof BIOSPHINKS AKTIENGESELLSCHAFT (DE) 2006-07-18 US disclosed
CN-1568308-A Salts of guanidine derivatives and pharmaceutical preparations consisting thereof BIOSPHINGS AG (DE) 2005-01-19 CN disclosed
US-20040192717-A1 Salts of guanidine derivatives and pharmaceutical preparations consisting thereof BIOSPHINGS AKTIENGESELLSCHAFT (DE) 2004-09-30 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 (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-20040192717-A1 Salts of guanidine derivatives and pharmaceutical preparations consisting thereof ODC1, GANC, AOC2 ALDH1A1 4109/4885HMGCR 1174/4885CHRM1 165/4885

“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.