SCHEMBL371359

SCHEMBL371359

Cn1cc(C(=O)CC(c2ccc(Br)cc2)C2CCC2)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
FFAR1 O14842 1/20 0.37
KMT2A Q03164 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MEN1 O00255 1/20 0.34
BRD4 O60885 1/20 0.34
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 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
SCHEMBL371102 0.98 ALDH1A1 (0.38) ALDH1A1LMNAMAPTHPGDTAAR1
SCHEMBL370119 0.97 ALDH1A1 (0.38) ALDH1A1LMNAMAPTHPGDTAAR1
SCHEMBL369900 0.86 EGFR (0.38) ALDH1A1LMNAMAPTHPGDTAAR1
SCHEMBL369899 0.86 EGFR (0.38) ALDH1A1LMNAMAPTHPGDTAAR1
SCHEMBL368994 0.84 EGFR (0.38) ALDH1A1LMNAMAPTHPGDTAAR1
SCHEMBL368993 0.84 EGFR (0.38) ALDH1A1LMNAMAPTHPGDTAAR1
SCHEMBL369344 0.84 EGFR (0.38) ALDH1A1LMNAMAPTHPGDTAAR1
SCHEMBL368796 0.83 EGFR (0.37) ALDH1A1LMNAMAPTHPGDTAAR1
SCHEMBL368795 0.83 EGFR (0.37) ALDH1A1LMNAMAPTHPGDTAAR1
SCHEMBL371171 0.81 MAP2K1 (0.37) ALDH1A1LMNAMAPTHPGDTAAR1

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
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 ALDH1A1 132/4885LMNA 2651/4885MAPT 4149/4885

“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.