SCHEMBL4093237

SCHEMBL4093237

CCCC(C)(C)[C@@H](O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA2 P00918 1/20 0.37
MAPK1 P28482 1/20 0.37
GPR84 Q9NQS5 3/20 0.35
CPT2 P23786 1/20 0.35
ACLY P53396 1/20 0.35
FFAR1 O14842 1/20 0.35
TP53 P04637 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL14661405 1.00 HDAC1 (0.37) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL14661634 1.00 HDAC1 (0.37) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL1981419 0.87 CPT2 (0.39) TDP1CPT2ACLYFFAR1TP53
SCHEMBL18610934 0.81 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10
SCHEMBL27853449 0.81 HDAC1 (0.37) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL5527722 0.81 ACACB (0.45) TDP1GPR84CPT2ACLYFFAR1
SCHEMBL18610929 0.81 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10
SCHEMBL1783885 0.81 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10
SCHEMBL14661666 0.80 CPT2 (0.38) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL8277447 0.80 CPT2 (0.38) HDAC1HDAC2CHRM1AKR1A1CHRM3

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
US-20150038333-A1 PLANT PROTECTIVE COMPOSITION CONTAINING ALPHA-HYDROXY ACIDS HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENT -RUN FÜR GESUNDHEIT UND (DE) 2015-02-05 US disclosed
US-20090004720-A1 Smart Biocatalysts For Organic Synthesis SOUTHERN METHODIST UNIVERSITY 2009-01-01 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-20150038333-A1 PLANT PROTECTIVE COMPOSITION CONTAINING ALPHA-HYDROXY ACIDS HAO1, HAAO, HAO2 HDAC1 4572/4885HDAC2 4039/4885CHRM1 2693/4885

“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.