SCHEMBL5650087

SCHEMBL5650087

BrCC(Br)(Br)C(Br)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TRPA1 O75762 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
KIF11 P52732 4/20 0.33
MAPK1 P28482 1/20 0.33
CYP2D6 P10635 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL4814612 0.85 KCNN4 (0.35) KCNN4TSHRALDH1A1TRPA1TAAR1
SCHEMBL4808349 0.83 KCNN4 (0.33) KCNN4TSHRALDH1A1TRPA1TAAR1
SCHEMBL4815052 0.81 TSHR (0.32) KCNN4TSHRALDH1A1TRPA1TAAR1
SCHEMBL9578236 0.79 KCNN4 (0.39) KCNN4TSHRALDH1A1TRPA1TAAR1
SCHEMBL26697300 0.76 ALDH1A1 (0.50) KCNN4TSHRALDH1A1TAAR1TDP1
SCHEMBL653871 0.75 KCNN4 (0.43) KCNN4TSHRALDH1A1TRPA1TAAR1
SCHEMBL8830673 0.72 KCNN4 (0.41) KCNN4TSHRALDH1A1TRPA1TAAR1
SCHEMBL9146310 0.72 KIF11 (0.46) KCNN4TSHRALDH1A1TRPA1TAAR1
SCHEMBL10588674 0.72 KCNN4 (0.41) KCNN4TSHRALDH1A1TRPA1TAAR1
SCHEMBL653357 0.71 KCNN4 (0.45) KCNN4TSHRALDH1A1TAAR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199170-B2 Non-xenoestrogenic stabilizers for organic materials CROMPTON CORPORATION (US) 2007-04-03 US disclosed
EP-1332172-B1 PROCESS FOR THE PRODUCTION OF SYNTACTIC AMINOPLAST FOAMS AMI AGROLINZ MELAMINE INT GMBH (AT) 2005-12-14 EP disclosed
US-20050080172-A1 Non-xenoestrogenic stabilizers for organic materials CK WITCO CORPORATION 2005-04-14 US disclosed
US-6858662-B2 Non-xenoestrogenic stabilizers for organic materials CROMPTON CORPORATION (US) 2005-02-22 US disclosed
EP-1332172-A1 PROCESS FOR THE PRODUCTION OF SYNTACTIC AMINOPLAST FOAMS AMI Agrolinz Melamine International GmbH (AT) 2003-08-06 EP disclosed
US-20030096890-A1 Non-xenoestrogenic stabilizers for organic materials CROMPTON CORPORATION 2003-05-22 US disclosed
US-6541549-B2 Oxidation resistance CROMPTON CORPORATION 2003-04-01 US disclosed
EP-1240245-A1 NON-XENOESTROGENIC PHOSPHITE STABILIZERS FOR ORGANIC MATERIALS Crompton Corporation (US) 2002-09-18 EP disclosed
WO-2002031032-A1 SYNTACTIC AMINOPLAST FOAMS AGROLINZ MELAMIN GMBH (AT) 2002-04-18 WO disclosed
US-20010053805-A1 NON-XENOESTROGENIC STABILIZERS FOR ORGANIC MATERIALS ADDIVANT USA, LLC 2001-12-20 US disclosed
WO-2001032765-A1 NON-XENOESTROGENIC PHOSPHITE STABILIZERS FOR ORGANIC MATERIALS CROMPTON CORPORATION (US) 2001-05-10 WO 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-20010053805-A1 NON-XENOESTROGENIC STABILIZERS FOR ORGANIC MATERIALS YWHAZ, ALPL, PAX2 KCNN4 1571/4885TSHR 3305/4885ALDH1A1 4397/4885

“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.