SCHEMBL18926554

SCHEMBL18926554

CCCCc1ccc(CCCOS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CNR2 P34972 2/20 0.52
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 2/20 0.43
CYP2D6 P10635 1/20 0.43
KCNH2 Q12809 1/20 0.43
HIF1A Q16665 1/20 0.43
PSMD10 O75832 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ENPP1 P22413 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CYP3A4 P08684 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL8498573 0.95 CA2 (0.51) CA2SMN1; SMN2CNR2CYP2C9CYP2C19
SCHEMBL2567795 0.94 ALDH1A1 (0.47) CA2SMN1; SMN2CNR2CYP2C9CYP2C19
SCHEMBL18934371 0.94 ALDH1A1 (0.47) CA2SMN1; SMN2CNR2CYP2C9CYP2C19
SCHEMBL8499603 0.91 CA2 (0.53) CA2SMN1; SMN2CNR2CYP2C9CYP2C19
SCHEMBL27572259 0.91 CA2 (0.59) CA2SMN1; SMN2CNR2LMNATSHR
SCHEMBL18926560 0.89 GAA (0.50) CA2SMN1; SMN2CNR2CYP2C9CYP2C19
SCHEMBL18926556 0.89 CNR2 (0.48) CA2SMN1; SMN2CNR2CYP2C9CYP2C19
SCHEMBL187914 0.87 CA1 (0.47) CA2SMN1; SMN2CYP2C9CYP2C19LMNA
SCHEMBL8927880 0.87 CA1 (0.47) CA2SMN1; SMN2CYP2C9CYP2C19LMNA
SCHEMBL4793354 0.87 FKBP1A (0.52) CA2SMN1; SMN2CNR2CYP2C9CYP2C19

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-20170158521-A1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2017-06-08 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-20170158521-A1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE CD14, ERG28, DAP3 CA2 2868/4885SMN1; SMN2 4426/4885CNR2 4136/4885

“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.