SCHEMBL14836613

SCHEMBL14836613

CCC[C@H](C=CC(=O)O)[C@@H](O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
CHRM1 P11229 1/20 0.40
AKR1A1 P14550 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38

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
SCHEMBL14836632 0.84 GABRP (0.40) ACHEBACE1GABRPGABRDGABRA1
SCHEMBL14836631 0.84 GABRP (0.40) ACHEBACE1GABRPGABRDGABRA1
SCHEMBL2545649 0.75 ACHE (0.58) ACHEBACE1CHRM1AKR1A1CHRM3
SCHEMBL1941417 0.75 ACHE (0.58) ACHEBACE1CHRM1AKR1A1CHRM3
Methyl Alcohol SCHEMBL4653215 0.74 ACHE (0.56) ACHEBACE1CHRM1AKR1A1CHRM3
SCHEMBL10970806 0.73 ACHE (0.46) ACHEBACE1CHRM1AKR1A1CHRM3
SCHEMBL1259562 0.73 ACHE (0.46) ACHEBACE1CHRM1AKR1A1CHRM3
SCHEMBL900317 0.71 GABRP (0.48) ACHEBACE1CHRM1AKR1A1CHRM3
SCHEMBL17021602 0.71 GABRP (0.48) ACHEBACE1CHRM1AKR1A1CHRM3
SCHEMBL900319 0.71 GABRP (0.48) ACHEBACE1CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729294-B2 Process for producing optically active 3-substituted-3-formyl-2-hydroxypropanoic acid compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-05-20 US disclosed
US-20130137880-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-SUBSTITUTED-3-FORMYL-2-HYDROXYPROPANOIC ACID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-30 US disclosed
EP-2578566-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-SUBSTITUTED-3-FORMYL-2-HYDROXYPROPANOIC ACID COMPOUND Sumitomo Chemical Company Limited (JP) 2013-04-10 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 (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-20130137880-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-SUBSTITUTED-3-FORMYL-2-HYDROXYPROPANOIC ACID COMPOUND HPD, GRHPR, HAAO ACHE 3914/4885BACE1 2620/4885CHRM1 3733/4885

“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.