SCHEMBL19737048

SCHEMBL19737048

COc1cc(C=O)cc(OC)c1OCCCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.50
ALDH1A1 P00352 9/20 0.49
MAPK1 P28482 1/20 0.49
FDPS P14324 1/20 0.49
TNFRSF1A P19438 1/20 0.44
HPGD P15428 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
TRIM24 O15164 1/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43

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
SCHEMBL14723251 0.98 TUBB1 (0.49) TUBB1ALDH1A1MAPK1FDPSTNFRSF1A
SCHEMBL2744232 0.90 TUBB1 (0.54) TUBB1ALDH1A1MAPK1FDPSTNFRSF1A
SCHEMBL8615157 0.90 FDPS (0.54) ALDH1A1MAPK1FDPSTNFRSF1AHPGD
SCHEMBL6739941 0.90 FDPS (0.54) ALDH1A1MAPK1FDPSTNFRSF1AHPGD
SCHEMBL5669710 0.87 FDPS (0.40) TUBB1ALDH1A1MAPK1FDPSHPGD
SCHEMBL7462173 0.85 FDPS (0.50) ALDH1A1MAPK1FDPSTSHRMAPT
SCHEMBL13168474 0.84 FDPS (0.50) TUBB1ALDH1A1MAPK1FDPSTNFRSF1A
Syringaldehyde SCHEMBL9370844 0.84 TUBB1 (0.49) TUBB1ALDH1A1MAPK1FDPSTNFRSF1A
SCHEMBL9122728 0.84 FDPS (0.49) ALDH1A1MAPK1FDPS
SCHEMBL7829405 0.84 FDPS (0.49) ALDH1A1MAPK1FDPS

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-20170362508-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-12-21 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-20170362508-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY PBDC1, RCC1, PUF60 TUBB1 1124/4885ALDH1A1 2864/4885MAPK1 3080/4885

“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.