SCHEMBL3786397

SCHEMBL3786397

CCCCOc1cc(OCCCC)cc(B(O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.47
LTA4H P09960 3/20 0.44
NR5A1 Q13285 1/20 0.44
BLM P54132 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
AHR P35869 1/20 0.41
LPL P06858 2/20 0.40
LIPG Q9Y5X9 2/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL29952210 0.93 AHR (0.51) PLA2G2ALTA4HNR5A1CA1CA2
SCHEMBL3790617 0.90 LTA4H (0.41) PLA2G2ALTA4HBLMCA1CA2
SCHEMBL29953152 0.89 TP53 (0.41) PLA2G2ALTA4HNR5A1CA1CA2
SCHEMBL29951255 0.88 MAPT (0.42) PLA2G2ALTA4HNR5A1CA1CA2
SCHEMBL3792825 0.88 TSHR (0.45) PLA2G2ALTA4HNR5A1CA1CA2
SCHEMBL16065807 0.88 LTA4H (0.39) PLA2G2ALTA4HNR5A1CA1CA2
SCHEMBL16687425 0.88 LTA4H (0.39) PLA2G2ALTA4HNR5A1BLMCA1
SCHEMBL29955738 0.84 FAAH (0.42) PLA2G2ALTA4HNR5A1
SCHEMBL17236433 0.84 SMN1; SMN2 (0.42) PLA2G2ALTA4HNR5A1AHR
SCHEMBL29953751 0.83 ENPP2 (0.46) PLA2G2ALTA4HCA1CA2AHR

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-9567526-B2 Polymerizable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2017-02-14 US disclosed
US-20140375943-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2014-12-25 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 PLA2G2A 3804/4885LTA4H 2263/4885NR5A1 910/4885

“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.