SCHEMBL2275943

SCHEMBL2275943

COC(=O)CCc1ccc(-c2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
LTB4R Q15722 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PDE4D Q08499 3/20 0.48
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
HRH3 Q9Y5N1 1/20 0.48
ACHE P22303 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL3940302 0.87 KMT2A (0.59) KMT2AMEN1ALDH1A1PDE4DCA12
SCHEMBL2271709 0.87 KMT2A (0.52) KMT2AMEN1LTB4RALDH1A1HRH3
SCHEMBL27637469 0.86 FFAR1 (0.59) KMT2AMEN1LTB4RPDE4DPDE4A
SCHEMBL14340327 0.82 NR1H4 (0.44) KMT2AMEN1LTB4RALDH1A1HRH3
SCHEMBL2277479 0.81 F2RL1 (0.67) ALDH1A1HRH3SMN1; SMN2
Phenyl Propionic Acid SCHEMBL28541899 0.80 KMT2A (0.63) KMT2AMEN1ALDH1A1
SCHEMBL12370801 0.80 HRH3 (0.49) HRH3SMN1; SMN2
SCHEMBL2278286 0.80 RXRA (0.53) KMT2AMEN1ALDH1A1HRH3
SCHEMBL22922181 0.80 CYP4F2 (0.59) KMT2AALDH1A1HRH3CA12CA9
SCHEMBL12646450 0.79 MAOB (0.62) ALDH1A1

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 5 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-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
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 KMT2A 3077/4885MEN1 519/4885LTB4R 894/4885

“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.