SCHEMBL4940673

SCHEMBL4940673

CCCC(C)C(C)C(CC(=O)O)NC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
GNPAT O15228 1/20 0.34
GPR84 Q9NQS5 4/20 0.33
PLA2G2C Q5R387 2/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL4940668 1.00 ALDH1A1 (0.34) ALDH1A1GNPATGPR84PLA2G2CCHRM1
SCHEMBL4937972 0.90 GPR84 (0.39) GNPATGPR84PLA2G2CMAPTTP53
SCHEMBL4937977 0.90 GPR84 (0.39) GNPATGPR84PLA2G2CMAPTTP53
SCHEMBL4938443 0.86 ALDH1A1 (0.37) ALDH1A1GNPATMAPTKDM4ETHRB
SCHEMBL4938448 0.86 ALDH1A1 (0.37) ALDH1A1GNPATMAPTKDM4ETHRB
SCHEMBL4015003 0.82 DPP8 (0.42) ALDH1A1METAP1
SCHEMBL4007836 0.82 DPP8 (0.42) ALDH1A1METAP1
SCHEMBL4005620 0.82 DPP8 (0.42) ALDH1A1METAP1
SCHEMBL4014292 0.82 CTSC (0.35) ALDH1A1GPR84ADRA1APOLBMETAP1
SCHEMBL4009847 0.82 CTSC (0.35) ALDH1A1GPR84ADRA1APOLBMETAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194841-A1 Preparation of Optically Pure Beta-Amino Acids Having Affinity for the Alpha-Delta Protein PFIZER INC. 2008-08-14 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-20080194841-A1 Preparation of Optically Pure Beta-Amino Acids Having Affinity for the Alpha-Delta Protein OPRD1, CHRND, CHRNE ALDH1A1 2244/4885GNPAT 1836/4885GPR84 705/4885

“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.