SCHEMBL4887314

SCHEMBL4887314

COc1c(Cl)cc(Cl)c(Cl)c1B(c1c(Cl)c(Cl)cc(Cl)c1OC)c1c(Cl)c(Cl)cc(Cl)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TPMT P51580 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.32
TSHR P16473 2/20 0.32
CASP1 P29466 1/20 0.32
CHUK O15111 1/20 0.31
TAS1R3 Q7RTX0 2/20 0.30
TAS1R1 Q7RTX1 2/20 0.30
TAS1R2 Q8TE23 2/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL4890427 0.83 NPC1 (0.38) NPC1CYP3A4ALDH1A1KDM4ETPMT
SCHEMBL4879485 0.78 HTT (0.39) NPC1CYP3A4ALDH1A1GAAHPGD
SCHEMBL29749746 0.77 CYP3A4 (0.50) NPC1CYP3A4ALDH1A1KDM4ETPMT
SCHEMBL481060 0.77 CYP3A4 (0.50) NPC1CYP3A4ALDH1A1KDM4ETPMT
SCHEMBL21614387 0.76 ALDH1A1 (0.42) NPC1CYP3A4ALDH1A1KDM4ETPMT
SCHEMBL8640622 0.76 CYP3A4 (0.47) NPC1CYP3A4ALDH1A1KDM4ETPMT
SCHEMBL4886102 0.75 CYP3A4 (0.53) NPC1CYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL4886870 0.74 NPC1 (0.42) NPC1CYP3A4ALDH1A1KDM4EGAA
SCHEMBL9331965 0.71 HPGD (0.56) NPC1CYP3A4ALDH1A1KDM4ETPMT
SCHEMBL15646029 0.70 HPGD (0.48) NPC1CYP3A4ALDH1A1KDM4ETPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817318-B1 STABILIZING METHOD AND STABILIZED COMPOSITION FOR ARYL BORON COMPOUNDS NIPPON CATALYTIC CHEM IND (JP) 2013-08-28 EP disclosed
US-20080154065-A1 Stabilizing Method and Stabilized Composition for Aryl Boron Compounds NIPPON SHOKUBAI CO., LTD. (JP) 2008-06-26 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-20080154065-A1 Stabilizing Method and Stabilized Composition for Aryl Boron Compounds AR, AHR, BCL6 NPC1 553/4885CYP3A4 2401/4885ALDH1A1 1928/4885

“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.