SCHEMBL1395402

SCHEMBL1395402

Cc1ccc(C(CC(=O)c2cc(F)ncc2C)c2ccc(Br)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
FFAR1 O14842 1/20 0.34
SORT1 Q99523 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
CTSA P10619 2/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MGAM O43451 2/20 0.32
GAA P10253 2/20 0.32
SI P14410 2/20 0.32
MGAM2 Q2M2H8 2/20 0.32
IGF1R P08069 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNB1 Q02641 1/20 0.32
CACNA1C Q13936 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL1389992 0.86 GPBAR1 (0.44) CTSAMAPTMEN1KMT2AMGAM
SCHEMBL1390144 0.85 BRD4 (0.43) BRD4FFAR1CTSAPOLB
SCHEMBL1390217 0.82 PPARD (0.32) FFAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL1390097 0.77 GPBAR1 (0.42) CTSAKMT2AMGAMGAASI
SCHEMBL1390361 0.73 GPBAR1 (0.55) CTSA
SCHEMBL1390350 0.72 GPBAR1 (0.43) CTSAMAPTMGAMGAASI
SCHEMBL1390427 0.72 GPBAR1 (0.41) SORT1MAPTMEN1KMT2AMGAM
SCHEMBL10241041 0.71 GPBAR1 (0.54) CTSA
SCHEMBL370421 0.71 ALDH1A1 (0.48) FFAR1MEN1KMT2ACACNA2D1CACNA1B
SCHEMBL1390297 0.71 GPBAR1 (0.54) CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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 (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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 BRD4 3540/4885FFAR1 14/4885SORT1 3151/4885

“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.