SCHEMBL854932

SCHEMBL854932

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

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
FDPS P14324 2/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL16924622 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL6544422 0.70 TSHR (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1301974 0.69
SCHEMBL2582181 0.69
SCHEMBL3844336 0.67 ALDH1A1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL23467125 0.67 FDPS (0.50) FDPS
SCHEMBL855391 0.67 TSHR (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
Ethane SCHEMBL7953033 0.67 TDP1 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL16600518 0.67 LMNA (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
Methyl Alcohol SCHEMBL10822182 0.67 TDP1 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C

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-8409673-B2 Chlorobenzene derivative, optically isotropic liquid crystal medium, and optical device JNC CORPORATION (JP) 2013-04-02 US disclosed
US-20120099039-A1 CHLOROBENZENE DERIVATIVE, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-04-26 US disclosed
EP-2433923-A1 CHLOROBENZENE DERIVATIVE, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL ELEMENT JNC Corporation (JP) 2012-03-28 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-20120099039-A1 CHLOROBENZENE DERIVATIVE, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE CRYAB, CYBA, CCNB1 CHRM1 1978/4885AKR1A1 1804/4885CHRM3 1240/4885

“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.