SCHEMBL944604

SCHEMBL944604

Cc1cc(Cl)cc(C)c1CC(Cl)(Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CES1 P23141 1/20 0.31
HTR1D P28221 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 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
SCHEMBL944650 0.84 SCN4A (0.32) SCN4ARAPGEF4TSHR
SCHEMBL944592 0.83
SCHEMBL944232 0.77
SCHEMBL10899786 0.75 ALDH1A1 (0.41) TSHRTP53CYP3A4
SCHEMBL25439064 0.73 ATP4A (0.37) SCN4ATSHRTP53CYP3A4
SCHEMBL21472699 0.72 RAPGEF4 (0.40) SCN4ARAPGEF4TSHRCYP3A4CES1
SCHEMBL14524295 0.72 TSHR (0.37) SCN4ARAPGEF4TSHRCYP3A4CES1
SCHEMBL13242368 0.71 L3MBTL1 (0.33) TSHR
SCHEMBL5729221 0.70 TSHR (0.35) SCN4ARAPGEF4TSHRCYP3A4CES1
SCHEMBL6354293 0.70 TSHR (0.35) SCN4ARAPGEF4TSHRCYP3A4CES1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875753-B2 formed by reacting aryldiazonium bromide with vinylidene chloride in presence of copper salt and bromide source BAYER CROPSCIENCE AG (DE) 2011-01-25 US disclosed
US-7875753-B2 formed by reacting aryldiazonium bromide with vinylidene chloride in presence of copper salt and bromide source BAYER CROPSCIENCE AG (DE) 2011-01-25 US disclosed
US-7875753-B2 formed by reacting aryldiazonium bromide with vinylidene chloride in presence of copper salt and bromide source BAYER CROPSCIENCE AG (DE) 2011-01-25 US disclosed
WO-2010105739-A1 AROMATIC 2-BROMO-2,2-DICHLOROETHYL COMPOUNDS AND METHODS FOR THE PRODUCTION THEREOF BAYER CROPSCIENCE AG (DE) 2010-09-23 WO disclosed
WO-2010105739-A1 AROMATIC 2-BROMO-2,2-DICHLOROETHYL COMPOUNDS AND METHODS FOR THE PRODUCTION THEREOF BAYER CROPSCIENCE AG (DE) 2010-09-23 WO disclosed
US-20100234651-A1 2-Bromo-2,2-Dichloroethyl Aromatics and Process for Preparation Thereof BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
US-20100234651-A1 2-Bromo-2,2-Dichloroethyl Aromatics and Process for Preparation Thereof BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
US-20100234651-A1 2-Bromo-2,2-Dichloroethyl Aromatics and Process for Preparation Thereof BAYER CROPSCIENCE AG (DE) 2010-09-16 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-20100234651-A1 2-Bromo-2,2-Dichloroethyl Aromatics and Process for Preparation Thereof AR, AHR, ADRA2C SCN4A 2729/4885RAPGEF4 1795/4885TSHR 1195/4885

“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.