SCHEMBL4889415

SCHEMBL4889415

CCOc1c(Cl)cc(Cl)cc1B(c1cc(Cl)cc(Cl)c1OCC)c1cc(Cl)cc(Cl)c1OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
POLB P06746 2/20 0.42
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ACLY P53396 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.33
CHUK O15111 1/20 0.33

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
SCHEMBL12681500 0.83 CYP1A2 (0.50) CYP1A2CYP2D6POLBHTTLMNA
SCHEMBL4886573 0.78 KMT2A (0.40) CYP1A2CYP2D6LMNAALDH1A1MAPT
SCHEMBL10841659 0.74 CYP1A2 (0.48) CYP1A2CYP2D6POLBHTTLMNA
SCHEMBL8189636 0.74 ORAI1 (0.51) CYP1A2CYP2D6POLBHTTLMNA
SCHEMBL4885876 0.71 ALDH1A1 (0.36) ALDH1A1TP53MAPTHSD17B10CYP3A4
Pyridine SCHEMBL28146635 0.70 CYP1A2 (0.44) CYP1A2CYP2D6POLBHTTLMNA
SCHEMBL4879485 0.69 HTT (0.39) CYP1A2CYP2D6POLBHTTLMNA
SCHEMBL4889535 0.69 HTT (0.39) CYP1A2CYP2D6POLBHTTLMNA
SCHEMBL4882107 0.69 TSHR (0.36) CYP1A2CYP2D6POLBHTTLMNA
SCHEMBL12670381 0.69 CYP1A2 (0.50) CYP1A2CYP2D6POLBHTTLMNA

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 CYP1A2 909/4885CYP2D6 1924/4885POLB 3228/4885

“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.