SCHEMBL6840323

SCHEMBL6840323

CCCOP(=O)(O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 4/20 0.40
LPAR1 Q92633 2/20 0.40
LPAR2 Q9HBW0 2/20 0.40
FDPS P14324 10/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
GGPS1 O95749 6/20 0.35
SMPD1 P17405 1/20 0.35

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
SCHEMBL12806713 0.88 LPAR3 (0.39) LPAR3LPAR1LPAR2FDPSMEN1
SCHEMBL26250157 0.87 LMNA (0.41) LPAR3LPAR1LPAR2FDPSLMNA
SCHEMBL16995440 0.85 LPAR3 (0.41) LPAR3LPAR1LPAR2FDPSMEN1
SCHEMBL3899262 0.80 MEN1 (0.37) LPAR3LPAR1LPAR2FDPSMEN1
SCHEMBL9115357 0.80 TSHR (0.46) LPAR3LPAR1LPAR2FDPSLMNA
SCHEMBL16021684 0.79 LMNA (0.35) LPAR3LPAR1LPAR2LMNA
SCHEMBL16021693 0.79 FDPS (0.38) FDPSLMNA
SCHEMBL16021698 0.79 LMNA (0.35) LPAR3LPAR1LPAR2LMNA
SCHEMBL26250154 0.77 LMNA (0.33) LMNA
SCHEMBL12267299 0.77 CHRM2 (0.32) LPAR3LPAR1LPAR2LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653141-B2 HIV protease inhibiting compounds ABBVIE INC. (US) 2014-02-18 US disclosed
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 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 (2 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-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP LPAR3 4160/4885LPAR1 4226/4885LPAR2 4577/4885
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP LPAR3 4160/4885LPAR1 4226/4885LPAR2 4577/4885

“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.