SCHEMBL370541

SCHEMBL370541

O=C(CC(c1ccc(Br)cc1F)C1CCCC1)c1ccc[n+]([O-])c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GPR84 Q9NQS5 2/20 0.35
CCR1 P32246 1/20 0.34
CCR2 P41597 1/20 0.34
LMNA P02545 3/20 0.33
TP53 P04637 3/20 0.33
MAPT P10636 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
KDM4E B2RXH2 1/20 0.30
OPRM1 P35372 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
SCHEMBL369165 0.83 KMT2A (0.40) MEN1KMT2AGPR84MAPTCYP1A2
SCHEMBL368786 0.82 KMT2A (0.39) MEN1KMT2AGPR84MAPTALDH1A1
SCHEMBL370833 0.81 KMT2A (0.40) MEN1KMT2AGPR84MAPTCYP1A2
SCHEMBL369675 0.78 GPR84 (0.43) MEN1KMT2AGPR84CYP1A2CYP3A4
SCHEMBL370009 0.78 MEN1 (0.36) MEN1KMT2AGPR84LMNAMAPT
SCHEMBL370963 0.78 CNR1 (0.36) CNR1CNR2CCR1CCR2LMNA
SCHEMBL371171 0.76 MAP2K1 (0.37) CNR1CNR2CCR1CCR2LMNA
SCHEMBL1390334 0.76 MEN1 (0.38) MEN1KMT2AGPR84LMNAMAPT
SCHEMBL369278 0.73 GPR183 (0.38)
SCHEMBL370667 0.72 KMT2A (0.46) MEN1KMT2AGPR84POLB

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 CNR1 56/4885CNR2 100/4885MEN1 1315/4885

“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.