SCHEMBL97734

SCHEMBL97734

CCCOCCOP(=O)(O)OC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
TSHR P16473 1/20 0.45
PLA2G2A P14555 4/20 0.43
LPAR3 Q9UBY5 7/20 0.36
LPAR1 Q92633 5/20 0.36
LPAR2 Q9HBW0 3/20 0.36
LPAR5 Q9H1C0 1/20 0.35
PLA2G2C Q5R387 1/20 0.34
ALDH1A1 P00352 1/20 0.33
BTN3A1 O00481 1/20 0.32
P2RY10 O00398 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL19912248 1.00 CYP3A4 (0.45) CYP3A4TSHRPLA2G2ALPAR3LPAR1
SCHEMBL19912253 1.00 CYP3A4 (0.45) CYP3A4TSHRPLA2G2ALPAR3LPAR1
SCHEMBL14802705 0.91 CYP3A4 (0.41) CYP3A4TSHRPLA2G2ALPAR3LPAR1
SCHEMBL19699812 0.91 CYP3A4 (0.41) CYP3A4TSHRPLA2G2ALPAR3LPAR1
SCHEMBL2522278 0.89 CYP3A4 (0.50) CYP3A4TSHRPLA2G2ALPAR3LPAR1
SCHEMBL2598173 0.88 CYP3A4 (0.45) CYP3A4TSHRPLA2G2ALPAR3LPAR1
SCHEMBL20278340 0.88 TSHR (0.41) CYP3A4TSHRPLA2G2ALPAR3LPAR1
SCHEMBL19511962 0.88 TSHR (0.41) CYP3A4TSHRPLA2G2ALPAR3LPAR1
SCHEMBL20261782 0.87 PLA2G2A (0.39) CYP3A4TSHRPLA2G2ALPAR3LPAR1
SCHEMBL20261774 0.87 PLA2G2A (0.39) CYP3A4TSHRPLA2G2ALPAR3LPAR1

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-20120059147-A1 METHOD FOR SITE-SELECTIVELY CLEAVING TARGET NUCLEIC ACID THE UNIVERSITY OF TOKYO (JP) 2012-03-08 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-20120059147-A1 METHOD FOR SITE-SELECTIVELY CLEAVING TARGET NUCLEIC ACID CPSF6, ADAR, NSUN2 CYP3A4 2649/4885TSHR 3606/4885PLA2G2A 2613/4885

“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.