SCHEMBL854931

SCHEMBL854931

CCC(CCCO)C(O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
FDPS P14324 1/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 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
SCHEMBL855390 0.84 DPP4 (0.43)
SCHEMBL28367268 0.82 FDPS (0.47) ALDH1A1SMN1; SMN2FDPSTSHR
SCHEMBL1823104 0.82 TSHR (0.38) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL27878198 0.81 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2FDPS
SCHEMBL765944 0.78 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL4883951 0.75 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2FDPSLMNAHSD17B10
Bromide SCHEMBL9486965 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4888576 0.74 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2FDPSLMNAHSD17B10
SCHEMBL6542741 0.74
SCHEMBL30393366 0.73

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 ALDH1A1 2136/4885SMN1; SMN2 4881/4885FDPS 2946/4885

“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.