SCHEMBL4885895

SCHEMBL4885895

Cc1cc(Cl)c(B(c2c(Cl)cc(C)c(Cl)c2Cl)c2c(Cl)cc(C)c(Cl)c2Cl)c(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
CHRM1 P11229 1/20 0.39
ALOX15 P16050 1/20 0.39
MAOA P21397 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
RAPGEF4 Q8WZA2 6/20 0.38
SIRT1 Q96EB6 1/20 0.35
CD44 P16070 1/20 0.32
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL4885560 0.76 CYP3A4 (0.56) CYP3A4CHRM1ALOX15TBXA2RADRA1A
SCHEMBL4886977 0.75 CYP3A4 (0.35) CYP3A4
SCHEMBL2260986 0.73 CYP3A4 (0.59) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL31519176 0.73 CYP3A4 (0.59) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL1006177 0.70 CYP3A4 (0.43) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL31465325 0.70 CYP3A4 (0.43) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL4889558 0.70 ALDH1A1 (0.36) CYP3A4CHRM1TBXA2RRAPGEF4ALDH1A1
SCHEMBL8436944 0.70 ALDH1A1 (0.39) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL4885803 0.70 CYP3A4 (0.41) CYP3A4RAPGEF4SIRT1ALDH1A1
SCHEMBL4892232 0.70 GRIN2D (0.34)

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 2401/4885CHRM1 3430/4885ALOX15 2114/4885

“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.