SCHEMBL21960080

SCHEMBL21960080

COc1ccc(/C=C\CCCO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 2/20 0.41
NPC1 O15118 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TRPA1 O75762 1/20 0.39
RELA Q04206 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6322494 0.92 KDM4E (0.42) PPARAKDM4ECYP3A4CYP1A2NPC1
SCHEMBL6322485 0.92 KDM4E (0.42) PPARAKDM4ECYP3A4CYP1A2NPC1
SCHEMBL17440547 0.82 KDM4E (0.45) KDM4ECYP3A4CYP1A2NPC1CYP2D6
SCHEMBL16773339 0.82 KDM4E (0.45) KDM4ECYP3A4CYP1A2NPC1CYP2D6
SCHEMBL20640990 0.75 NFE2L2 (0.38) LMNATP53NQO2PTGS2NFE2L2
SCHEMBL15539518 0.75 IDO1 (0.43) PPARA
SCHEMBL15539516 0.75 IDO1 (0.43) PPARA
SCHEMBL3247170 0.74 AHR (0.54) LTB4RLTB4R2KDM4ECYP3A4CYP1A2
SCHEMBL3247166 0.74 AHR (0.54) LTB4RLTB4R2KDM4ECYP3A4CYP1A2
SCHEMBL3828085 0.74 TDP1 (0.49) ALDH1A1ALOX5

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-20200123197-A1 METHOD OF MAKING A CROSS METATHESIS PRODUCT NATIONAL SCIENCE FOUNDATION 2020-04-23 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-20200123197-A1 METHOD OF MAKING A CROSS METATHESIS PRODUCT DUOX2, DUOX1, RNF168 PPARA 4522/4885LTB4R 667/4885LTB4R2 665/4885

“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.