SCHEMBL13040539

SCHEMBL13040539

Cc1c(Br)cc(C(C)(C)C)c(O)c1-c1c(C)c(Br)cc(C(C)(C)C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.50
CA2 P00918 4/20 0.50
ALDH1A1 P00352 4/20 0.50
POLB P06746 1/20 0.50
TYR P14679 1/20 0.50
CA1 P00915 2/20 0.46
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP1A2 P05177 2/20 0.45
HIF1A Q16665 3/20 0.42
TP53 P04637 1/20 0.42
HSPA5 P11021 1/20 0.41
ALOX15 P16050 3/20 0.41
MAPT P10636 2/20 0.41
HPN P05981 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
IGF1R P08069 1/20 0.40
CISD1 Q9NZ45 1/20 0.40
GLRA3 O75311 1/20 0.39
GLRB P48167 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
SCHEMBL3046865 0.83 SMN1; SMN2 (0.45) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL10436625 0.82 SMN1; SMN2 (0.48) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL6757169 0.80 SMN1; SMN2 (0.56) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL31108090 0.80 SMN1; SMN2 (0.56) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL29410034 0.78 SMN1; SMN2 (0.54) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL29410024 0.78 SMN1; SMN2 (0.54) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL1524288 0.78 SMN1; SMN2 (0.54) SMN1; SMN2CA2ALDH1A1POLBTYR
Selenium SCHEMBL30065154 0.77 SMN1; SMN2 (0.52) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL4507384 0.76 CA2 (0.42) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL2436993 0.76 GLRA3 (0.65) SMN1; SMN2CA2ALDH1A1POLBTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20100280284-A1 OPTICALLY ACTIVE 2,2'-BIPHENOL DERIVATIVE AND PRODUCTION METHOD OF SAME NIPPON SODA CO., LTD. (JP) 2010-11-04 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-20100280284-A1 OPTICALLY ACTIVE 2,2'-BIPHENOL DERIVATIVE AND PRODUCTION METHOD OF SAME SQLE, CYP2J2, CYP24A1 SMN1; SMN2 4802/4885CA2 148/4885ALDH1A1 222/4885

“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.