SCHEMBL2608092

SCHEMBL2608092

Cc1ccc(Br)c(C)c1-c1c(C)ccc(Br)c1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PAX8 Q06710 1/20 0.39
POLB P06746 1/20 0.36
TDP1 Q9NUW8 2/20 0.31
CASP1 P29466 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
CYP1A2 P05177 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
SCHEMBL27931079 0.90 ALDH1A1 (0.44) ALDH1A1TDP2NSD2HSP90AA1PAX8
SCHEMBL19995979 0.90 ALDH1A1 (0.33) ALDH1A1TDP2NSD2HSP90AA1PAX8
Phenol SCHEMBL28205640 0.82 TDP1 (0.44) ALDH1A1TDP1CYP3A4CYP1A2
SCHEMBL30663464 0.81 ALDH1A1 (0.41) ALDH1A1POLBTDP1
SCHEMBL1023210 0.79 ALDH1A1 (0.41) ALDH1A1TDP2NSD2HSP90AA1PAX8
Phenol SCHEMBL28290726 0.78 CA12 (0.39) ALDH1A1HSP90AA1TDP1CYP3A4TSHR
SCHEMBL30238695 0.78 ALDH1A1 (0.42) ALDH1A1TDP2POLBTDP1CYP3A4
SCHEMBL29863836 0.78 POLB (0.56) ALDH1A1POLBTDP1CASP1CYP3A4
SCHEMBL1198842 0.78 POLB (0.56) ALDH1A1POLBTDP1CASP1CYP3A4
SCHEMBL29380074 0.77 ALDH1A1 (0.42) ALDH1A1HSP90AA1TDP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124649-A1 CAPPED BISPHENOL POLYETHER OLIGOMER AND COMPOSITION, METHOD OF MANUFACTURE, AND ARTICLES MADE THEREFROM SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2024-04-18 US disclosed
US-8263798-B2 Optically active quaternary ammonium salt having axial asymmetry, and method for producing alpha-amino acid and derivative thereof by using the same NAGASE & CO., LTD. (JP) 2012-09-11 US disclosed
US-8252952-B2 Optically active quaternary ammonium salt having axial asymmetry, and method for producing alpha-amino acid and derivative thereof by using the same NAGASE & CO., LTD. (JP) 2012-08-28 US disclosed
US-20120108846-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-05-03 US disclosed
US-20120101309-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-04-26 US disclosed
US-20120101310-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-04-26 US disclosed
US-20120095252-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-04-19 US disclosed
US-20120095218-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-04-19 US disclosed
US-7582691-B2 Poly(arylene ether) compositions and articles SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2009-09-01 US disclosed
US-20080171817-A1 POLY(ARYLENE ETHER) COMPOSITIONS AND ARTICLES SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2008-07-17 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 (5 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-20120108846-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 ALDH1A1 3013/4885TDP2 4255/4885NSD2 3584/4885
US-20120101309-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 ALDH1A1 3108/4885TDP2 3729/4885NSD2 3475/4885
US-20120095252-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 ALDH1A1 3013/4885TDP2 4255/4885NSD2 3584/4885
US-20120095218-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 ALDH1A1 3013/4885TDP2 4255/4885NSD2 3584/4885
US-20120101310-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 ALDH1A1 3013/4885TDP2 4255/4885NSD2 3584/4885

“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.