SCHEMBL4890427

SCHEMBL4890427

COc1c(Cl)cc(Cl)c(B(c2c(Cl)cc(Cl)c(OC)c2Cl)c2c(Cl)cc(Cl)c(OC)c2Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TPMT P51580 1/20 0.35
GAA P10253 1/20 0.35
CHUK O15111 1/20 0.34
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
HPGD P15428 1/20 0.33
AKR1B1 P15121 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TAS1R3 Q7RTX0 2/20 0.30
TAS1R1 Q7RTX1 2/20 0.30
TAS1R2 Q8TE23 2/20 0.30
KMT2A Q03164 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
SCHEMBL4887314 0.83 NPC1 (0.38) NPC1ALDH1A1KDM4ETPMTGAA
SCHEMBL21614387 0.81 ALDH1A1 (0.42) NPC1ALDH1A1KDM4ETPMTGAA
SCHEMBL4889535 0.78 HTT (0.39) NPC1ALDH1A1KDM4EGAACHUK
SCHEMBL29749746 0.77 CYP3A4 (0.50) NPC1ALDH1A1KDM4ETPMTGAA
SCHEMBL481060 0.77 CYP3A4 (0.50) NPC1ALDH1A1KDM4ETPMTGAA
SCHEMBL23972200 0.73 ALDH1A1 (0.37) NPC1ALDH1A1KDM4ETPMTGAA
SCHEMBL7788686 0.71 HSD17B10 (0.52) NPC1ALDH1A1KDM4ETPMTGAA
SCHEMBL11673794 0.71 GAA (0.44) NPC1ALDH1A1KDM4ETPMTGAA
SCHEMBL4885560 0.71 CYP3A4 (0.56) NPC1ALDH1A1DRD1DRD3HPGD
SCHEMBL8640622 0.71 CYP3A4 (0.47) NPC1ALDH1A1KDM4ETPMTGAA

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 553/4885ALDH1A1 1928/4885KDM4E 2314/4885

“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.