SCHEMBL3039574

SCHEMBL3039574

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
CYP2C9 P11712 4/20 0.59
CYP2C19 P33261 3/20 0.59
HIF1A Q16665 2/20 0.59
TP53 P04637 1/20 0.59
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
CYP1A2 P05177 2/20 0.41
ALOX15 P16050 3/20 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
HSPA5 P11021 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
HPN P05981 1/20 0.36

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
SCHEMBL27944723 0.80 SMN1; SMN2 (0.50) SMN1; SMN2CYP2C9CYP2C19HIF1ATP53
SCHEMBL29897548 0.80 SMN1; SMN2 (0.50) SMN1; SMN2CYP2C9CYP2C19HIF1ATP53
SCHEMBL10488673 0.79 SMN1; SMN2 (0.65) SMN1; SMN2CYP2C9CYP2C19HIF1ATP53
SCHEMBL2294654 0.78 CYP2C19 (0.48) SMN1; SMN2CYP2C9CYP2C19HIF1ATP53
SCHEMBL27962109 0.78 SMN1; SMN2 (0.62) SMN1; SMN2CYP2C9CYP2C19HIF1ATP53
SCHEMBL3046865 0.75 SMN1; SMN2 (0.45) SMN1; SMN2CYP2C9CYP2C19HIF1ATP53
SCHEMBL70468 0.75 CYP2C19 (1.00) SMN1; SMN2CYP2C9CYP2C19HIF1ATP53
SCHEMBL27883056 0.73 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C9CYP2C19HIF1ATP53
SCHEMBL4612916 0.73 TSHR (0.42) SMN1; SMN2CYP2C9CYP2C19HIF1ATP53
SCHEMBL10771653 0.72 CA2 (0.48) SMN1; SMN2CYP2C9CYP2C19HIF1ATP53

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
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 4802/4885CYP2C9 104/4885CYP2C19 97/4885

“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.