SCHEMBL4889558

SCHEMBL4889558

Cc1ccc(Cl)c(B(c2c(Cl)ccc(C)c2Cl)c2c(Cl)ccc(C)c2Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 2/20 0.34
PTGS2 P35354 2/20 0.32
MEN1 O00255 1/20 0.32
AKR1B10 O60218 1/20 0.32
ABCB11 O95342 1/20 0.32
TTR P02766 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
FABP2 P12104 1/20 0.32
RXRA P19793 1/20 0.32
TBXA2R P21731 1/20 0.32
NR4A1 P22736 1/20 0.32
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
MAPK1 P28482 1/20 0.32
AKR1C3 P42330 1/20 0.32
NR4A2 P43354 1/20 0.32
AKR1C2 P52895 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
SCHEMBL5422266 0.81 ALDH1A1 (0.42) ALDH1A1LMNACYP3A4PTGS2MEN1
SCHEMBL29952822 0.81 ALDH1A1 (0.42) ALDH1A1LMNACYP3A4PTGS2MEN1
SCHEMBL29370015 0.73 CYP3A4 (0.46) ALDH1A1LMNACYP3A4PTGS2MEN1
SCHEMBL180306 0.73 CYP3A4 (0.46) ALDH1A1LMNACYP3A4PTGS2MEN1
SCHEMBL29403294 0.71 CYP3A4 (0.41) ALDH1A1LMNACYP3A4PTGS2MEN1
SCHEMBL477584 0.71 CYP3A4 (0.41) ALDH1A1LMNACYP3A4PTGS2MEN1
SCHEMBL3239977 0.70 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4PTGS2MEN1
SCHEMBL29039830 0.70 CYP3A4 (0.43) ALDH1A1LMNACYP3A4PTGS2MEN1
SCHEMBL4885895 0.70 CYP3A4 (0.39) ALDH1A1CYP3A4CHRM1TBXA2RRAPGEF4
SCHEMBL4881673 0.70 ALDH1A1 (0.38) ALDH1A1LMNAMEN1MAPK1KMT2A

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 ALDH1A1 1928/4885LMNA 2555/4885CYP3A4 2401/4885

“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.