SCHEMBL4885560

SCHEMBL4885560

Clc1cc(Cl)c(B(c2c(Cl)cc(Cl)c(Cl)c2Cl)c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.56
HPGD P15428 6/20 0.43
HSD17B10 Q99714 6/20 0.43
TSHR P16473 6/20 0.43
MAPK1 P28482 3/20 0.43
CASP1 P29466 1/20 0.41
ALDH1A1 P00352 2/20 0.38
HSP90AA1 P07900 2/20 0.38
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
AHR P35869 10/20 0.35
AKR1B1 P15121 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
EGFR P00533 1/20 0.32
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
ERBB2 P04626 1/20 0.32
CYP1A2 P05177 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
SCHEMBL4886102 0.81 CYP3A4 (0.53) CYP3A4HPGDHSD17B10TSHRMAPK1
SCHEMBL4885803 0.76 CYP3A4 (0.41) CYP3A4HPGDHSD17B10TSHRMAPK1
SCHEMBL4885895 0.76 CYP3A4 (0.39) CYP3A4ALDH1A1MAPTCHRM1ALOX15
SCHEMBL4886977 0.76 CYP3A4 (0.35) CYP3A4HPGDHSD17B10TSHRCASP1
Pentachlorobenzene SCHEMBL11455164 0.73 CYP3A4 (1.00) CYP3A4HPGDHSD17B10TSHRMAPK1
Pentachlorobenzene SCHEMBL183144 0.73 CYP3A4 (1.00) CYP3A4HPGDHSD17B10TSHRMAPK1
SCHEMBL4889298 0.71 HPGD (0.39) CYP3A4HPGDHSD17B10TSHRMAPK1
SCHEMBL4890427 0.71 NPC1 (0.38) CYP3A4HPGDHSD17B10ALDH1A1AKR1B1
SCHEMBL4892232 0.71 GRIN2D (0.34)
SCHEMBL4882741 0.71 CYP3A4 (0.31) CYP3A4HPGDHSD17B10TSHRMAPK1

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 CYP3A4 2401/4885HPGD 4745/4885HSD17B10 1684/4885

“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.