SCHEMBL2497898

SCHEMBL2497898

Nc1cc(F)ccc1-c1cccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
GPR3 P46089 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
HDAC1 Q13547 2/20 0.36
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
GRM5 P41594 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
SLC9A1 P19634 1/20 0.35
MAPK14 Q16539 2/20 0.35

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
SCHEMBL2495695 0.85 ALDH1A1 (0.48) ALDH1A1PIM1PIM3PIM2L3MBTL1
SCHEMBL2497049 0.81 TSHR (0.42) ALDH1A1PIM1PIM3PIM2PDE2A
SCHEMBL29462674 0.81 ALDH1A1 (0.55) ALDH1A1TAAR1L3MBTL1GPR3GAA
SCHEMBL3787706 0.79 ALDH1A1 (0.59) ALDH1A1TAAR1L3MBTL1GPR3GAA
SCHEMBL398474 0.79 ALDH1A1 (0.59) ALDH1A1PIM1PIM3PIM2L3MBTL1
SCHEMBL28453346 0.77 ALDH1A1 (0.48) ALDH1A1L3MBTL1GPR3MAPK14MAPK13
SCHEMBL3038641 0.76 CES2 (0.46) SLC9A1
SCHEMBL30927149 0.75 ALDH1A1 (0.50) ALDH1A1L3MBTL1GAAHTTHDAC1
SCHEMBL2497040 0.74 HSD11B1 (0.43) ALDH1A1TAAR1KDM4E
SCHEMBL10305000 0.73 PDE2A (0.41) L3MBTL1CASP3SENP8SENP7SENP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030527-B2 Process for preparing substituted biphenyls BASF SE (DE) 2011-10-04 US disclosed
US-20100256418-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS SMIDT SEBASTIAN PEER 2010-10-07 US disclosed
US-7709684-B2 Process for preparing substituted biphenyls BASF SE (DE) 2010-05-04 US disclosed
EP-2029519-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS BASF SE (DE) 2009-03-04 EP disclosed
US-20090005597-A1 Process for Preparing Substituted Biphenyls BASF SE (DE) 2009-01-01 US disclosed
WO-2007138089-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS BASF SE (DE) 2007-12-06 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 (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-20100256418-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS CBR3, HRH3, CBR1 ALDH1A1 2554/4885PIM1 4296/4885PIM3 2651/4885
US-20090005597-A1 Process for Preparing Substituted Biphenyls CBR3, HRH3, CBR1 ALDH1A1 1911/4885PIM1 4082/4885PIM3 2722/4885

“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.