SCHEMBL23845816

SCHEMBL23845816

CC/C=C/NC(CCC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.40
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
TDP1 Q9NUW8 1/20 0.40
FPR2 P25090 2/20 0.36
NOD1 Q9Y239 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
MME P08473 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 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
SCHEMBL28936542 1.00 HDAC2 (0.40) HDAC2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL21395988 0.84 GRIK1 (0.34) FPR2MMEALDH1A1MAPTGRIK1
SCHEMBL20586749 0.81 SLC6A5 (0.49) SLC6A5
SCHEMBL20586747 0.81 SLC6A5 (0.49) SLC6A5
SCHEMBL14819043 0.78 CHRM1 (0.44) HDAC2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL17706682 0.78 CHRM1 (0.44) HDAC2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL7569487 0.74 SLC6A5 (0.52) CHRM1TDP1NOD1SLC6A5MAPT
SCHEMBL7569485 0.74 SLC6A5 (0.52) CHRM1TDP1NOD1SLC6A5MAPT
SCHEMBL20529784 0.74 ALDH1A1 (0.46) MMESLC6A5ALDH1A1MAPTGRIK1
SCHEMBL20529776 0.74 ALDH1A1 (0.46) MMESLC6A5ALDH1A1MAPTGRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115466189-A Preparation and purification method of amino acid and derivatives thereof 安徽普利药业有限公司 2022-12-13 CN disclosed
US-20210290761-A1 ANTI-PARASITIC IMMUNOLOGICAL COMPOSITIONS AL-MURRANI, SAMER 2021-09-23 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-20210290761-A1 ANTI-PARASITIC IMMUNOLOGICAL COMPOSITIONS C3AR1, C5AR1, C5AR2 HDAC2 2895/4885CHRM1 1334/4885AKR1A1 4640/4885

“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.