SCHEMBL369900

SCHEMBL369900

Cn1cc(C(CC(c2ccc(Br)cc2)C2CCC2)=NO)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
POLB P06746 1/20 0.33
FFAR1 O14842 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
BRD4 O60885 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL369899 1.00 EGFR (0.38) EGFRGPBAR1POLBFFAR1ALDH1A1
SCHEMBL368994 0.98 EGFR (0.38) EGFRGPBAR1POLBFFAR1ALDH1A1
SCHEMBL369344 0.98 EGFR (0.38) EGFRGPBAR1POLBFFAR1ALDH1A1
SCHEMBL368993 0.98 EGFR (0.38) EGFRGPBAR1POLBFFAR1ALDH1A1
SCHEMBL368795 0.97 EGFR (0.37) EGFRGPBAR1POLBFFAR1ALDH1A1
SCHEMBL368796 0.97 EGFR (0.37) EGFRGPBAR1POLBFFAR1ALDH1A1
SCHEMBL371359 0.86 ALDH1A1 (0.38) POLBFFAR1ALDH1A1LMNAMAPT
SCHEMBL371102 0.84 ALDH1A1 (0.38) POLBFFAR1ALDH1A1LMNAMAPT
SCHEMBL370119 0.83 ALDH1A1 (0.38) POLBFFAR1ALDH1A1LMNAMAPT
SCHEMBL368120 0.82 MAP2K1 (0.34) EGFRGPBAR1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP claimed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP claimed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO claimed
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO 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 EGFR 2863/4885GPBAR1 1/4885POLB 2940/4885

“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.