SCHEMBL9958403

SCHEMBL9958403

COc1cc(C(C)(C)C)ccc1OS(C)(=O)=O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.65
CA2 P00918 2/20 0.65
CA9 Q16790 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.45
ALPL P05186 1/20 0.43
ATM Q13315 1/20 0.42
PTPN1 P18031 1/20 0.42
WDR5 P61964 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
NR1I2 O75469 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL9958036 0.95 CA1 (0.62) CA1CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL29436012 0.81 CA2 (0.50) CA1CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL179467 0.81 CA2 (0.50) CA1CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL2458823 0.81 CA1 (0.57) CA1CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL2456740 0.81 CA1 (0.57) CA1CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL15290559 0.79 CA1 (0.54) CA1CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL10710253 0.79 SMN1; SMN2 (0.62) CA1CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL11537053 0.79 CA1 (0.41) CA1CA2CA9SMN1; SMN2KMT2A
SCHEMBL647894 0.77 CA1 (0.53) CA1CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL5706328 0.77 CA1 (0.53) CA1CA2CA9SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029024-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2015-05-12 US disclosed
US-20150073045-A1 POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO CORNELL UNIVERSITY (US) 2015-03-12 US disclosed
EP-2469638-B1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND ELECTROCHEMICAL DEVICE USING THE SAME UBE INDUSTRIES (JP) 2014-10-01 EP disclosed
US-8563603-B2 Polycyclic compounds and methods related thereto CORNELL UNIVERSITY (US) 2013-10-22 US disclosed
US-20120189919-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2469638-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2012-06-27 EP disclosed
US-20110275708-A1 POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO CORNELL UNIVERSITY (US) 2011-11-10 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 (2 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-20150073045-A1 POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO PKD1, THPO, CCNO CA1 3334/4885CA2 962/4885CA9 2466/4885
US-20110275708-A1 POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO PKD1, THPO, CCNO CA1 3082/4885CA2 933/4885CA9 2389/4885

“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.