SCHEMBL2349435

SCHEMBL2349435

B.CCCCCOCC(C)(C)CO

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.48
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.41
USP2 O75604 1/20 0.41
CES2 O00748 2/20 0.40
PLA2G2C Q5R387 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL10986732 0.98 CES1 (0.50) CES1HTTMEN1THRBKMT2A
SCHEMBL11209987 0.96 CES1 (0.53) CES1HTTMEN1THRBKMT2A
SCHEMBL28385756 0.96 CES1 (0.53) CES1HTTMEN1THRBKMT2A
SCHEMBL7035407 0.96 CES1 (0.53) CES1HTTMEN1THRBKMT2A
SCHEMBL10993366 0.96 CES1 (0.53) CES1HTTMEN1THRBKMT2A
SCHEMBL9023823 0.91 TSHR (0.50) CES1HTTMEN1THRBKMT2A
SCHEMBL11211887 0.90 CES1 (0.49) CES1HTTMEN1THRBKMT2A
SCHEMBL11213537 0.90 CES1 (0.49) CES1HTTMEN1THRBKMT2A
Boric Acid SCHEMBL28537096 0.86 TSHR (0.45) CES1HTTMEN1THRBKMT2A
SCHEMBL30256962 0.84 CES1 (0.52) CES1HTTMEN1THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530689-B2 Processes for the preparation of biphenyl compounds THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-09-10 US disclosed
US-20110207957-A1 PROCESSES FOR THE PREPARATION OF BIPHENYL COMPOUNDS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-08-25 US disclosed
WO-2009137322-A2 PROCESSES FOR THE PREPARATION OF BIPHENYL COMPOUNDS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-11-12 WO 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-20110207957-A1 PROCESSES FOR THE PREPARATION OF BIPHENYL COMPOUNDS C1S, BAX, C9 CES1 2599/4885HTT 904/4885MEN1 519/4885

“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.