SCHEMBL3046865

SCHEMBL3046865

Cc1c(Br)cc(C(C)(C)C)c(-c2c(C(C)(C)C)cc(Br)c(C)c2O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
ALDH1A1 P00352 5/20 0.45
CA2 P00918 4/20 0.45
TYR P14679 2/20 0.45
POLB P06746 1/20 0.45
CA1 P00915 2/20 0.41
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
ALOX15 P16050 5/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ATP2A2 P16615 1/20 0.39
ATP2A3 Q93084 1/20 0.39
HIF1A Q16665 3/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL13040539 0.83 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2TYRPOLB
SCHEMBL27944723 0.80 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2TYRPOLB
SCHEMBL29897548 0.80 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2TYRPOLB
SCHEMBL2294654 0.78 CYP2C19 (0.48) SMN1; SMN2ALDH1A1CA2TYRPOLB
SCHEMBL10436625 0.78 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1CA2TYRPOLB
SCHEMBL3039574 0.75 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1CA2TYRPOLB
SCHEMBL4507384 0.72 CA2 (0.42) SMN1; SMN2ALDH1A1CA2TYRPOLB
SCHEMBL2436993 0.72 GLRA3 (0.65) SMN1; SMN2ALDH1A1CA2TYRPOLB
SCHEMBL8374077 0.71 CA1 (0.46) ALDH1A1CA2CA1ALOX15HIF1A
SCHEMBL1245154 0.70 CYP2C19 (0.48) SMN1; SMN2ALDH1A1CA2TYRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111574328-B Economical and practical resolution method of 2,2' -biphenol compound 广东工业大学 2022-12-20 CN claimed
CN-111574450-B Novel chiral biphenyl quaternary ammonium salt phase transfer catalyst and preparation method and application thereof 广东工业大学 2021-10-29 CN claimed
CN-111574450-A Novel chiral biphenyl quaternary ammonium salt phase transfer catalyst and preparation method and application thereof 广东工业大学 2020-08-25 CN claimed
CN-111574328-B Economical and practical resolution method of 2,2' -biphenol compound 广东工业大学 2022-12-20 CN disclosed
CN-111574328-B Economical and practical resolution method of 2,2' -biphenol compound 广东工业大学 2022-12-20 CN disclosed
CN-111574450-B Novel chiral biphenyl quaternary ammonium salt phase transfer catalyst and preparation method and application thereof 广东工业大学 2021-10-29 CN disclosed
CN-111574328-A Economical and practical resolution method of 2,2' -biphenol compound 广东工业大学 2020-08-25 CN disclosed
CN-111574450-A Novel chiral biphenyl quaternary ammonium salt phase transfer catalyst and preparation method and application thereof 广东工业大学 2020-08-25 CN disclosed
EP-2241545-B1 OPTICALLY ACTIVE 2,2'-BIPHENOL DERIVATIVE AND METHOD FOR PRODUCING THE SAME NIPPON SODA CO (JP) 2014-05-14 EP disclosed
US-8283501-B2 Optically active 2,2′-biphenol derivative and production method of same NIPPON SODA CO., LTD. (JP) 2012-10-09 US disclosed
US-20100280284-A1 OPTICALLY ACTIVE 2,2'-BIPHENOL DERIVATIVE AND PRODUCTION METHOD OF SAME NIPPON SODA CO., LTD. (JP) 2010-11-04 US disclosed
EP-2241545-A1 OPTICALLY ACTIVE 2,2'-BIPHENOL DERIVATIVE AND METHOD FOR PRODUCING THE SAME Nippon Soda Co., Ltd. (JP) 2010-10-20 EP 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-20100280284-A1 OPTICALLY ACTIVE 2,2'-BIPHENOL DERIVATIVE AND PRODUCTION METHOD OF SAME SQLE, CYP2J2, CYP24A1 SMN1; SMN2 4802/4885ALDH1A1 222/4885CA2 148/4885

“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.