SCHEMBL4886870

SCHEMBL4886870

COc1cc(Cl)c(Cl)c(B(c2c(Cl)c(Cl)cc(OC)c2Cl)c2c(Cl)c(Cl)cc(OC)c2Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
GAA P10253 3/20 0.38
TAAR1 Q96RJ0 1/20 0.36
AKR1B1 P15121 1/20 0.34
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
CCR6 P51684 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
G6PD P11413 1/20 0.34
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL4889741 0.78 LMNA (0.36) ALDH1A1MAPTPKMMAPK1RAB9A
SCHEMBL29749799 0.77 CYP3A4 (0.50) NPC1GAATAAR1AKR1B1ALDH1A1
SCHEMBL914797 0.77 CYP3A4 (0.50) NPC1GAATAAR1AKR1B1ALDH1A1
SCHEMBL4886102 0.75 CYP3A4 (0.53) NPC1ALDH1A1HSP90AA1MAPTMAPK1
SCHEMBL4887314 0.74 NPC1 (0.38) NPC1GAAALDH1A1MAPK1KDM4E
SCHEMBL4881673 0.74 ALDH1A1 (0.38) NPC1GAAALDH1A1NPSR1HSP90AA1
SCHEMBL28394894 0.71 ENPP2 (0.40) NPC1GAAALDH1A1MAPTG6PD
SCHEMBL5572861 0.70 GAA (0.50) NPC1GAATAAR1ALDH1A1NPSR1
Chloroneb SCHEMBL22739 0.70 GAA (0.64) NPC1GAATAAR1ALDH1A1NPSR1
SCHEMBL9563947 0.70 ALDH1A1 (0.52) NPC1GAATAAR1ALDH1A1NPSR1

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 553/4885GAA 3897/4885TAAR1 702/4885

“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.