SCHEMBL362072

SCHEMBL362072

O=C(C=Cc1ccc(Br)cc1)c1cc(F)cc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.61
ESR2 Q92731 1/20 0.61
P4HB P07237 1/20 0.59
TNFRSF1A P19438 1/20 0.59
CYP1B1 Q16678 1/20 0.58
MAPT P10636 5/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAOB P27338 2/20 0.55
MAOA P21397 1/20 0.55
SLC5A1 P13866 1/20 0.54
SLC5A2 P31639 1/20 0.54
PTPN1 P18031 1/20 0.54
SNCA P37840 1/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51

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
SCHEMBL1224370 0.87 CYP1B1 (0.63) ESR1ESR2P4HBTNFRSF1ACYP1B1
SCHEMBL362071 0.87 CYP1B1 (0.63) ESR1ESR2P4HBTNFRSF1ACYP1B1
SCHEMBL1320535 0.85 HDAC6 (0.64) TNFRSF1ASNCA
SCHEMBL1320536 0.85 HDAC6 (0.64) TNFRSF1ASNCA
SCHEMBL31554987 0.85 TNFRSF1A (0.83) ESR1ESR2TNFRSF1ACYP1B1MAPT
SCHEMBL22198827 0.85 TNFRSF1A (0.83) ESR1ESR2TNFRSF1ACYP1B1MAPT
SCHEMBL28562526 0.85 TNFRSF1A (0.83) ESR1ESR2TNFRSF1ACYP1B1MAPT
SCHEMBL1659832 0.82 ESR1 (0.86) ESR1ESR2P4HBTNFRSF1ACYP1B1
SCHEMBL1659833 0.82 ESR1 (0.86) ESR1ESR2P4HBTNFRSF1ACYP1B1
SCHEMBL1390188 0.78 MAPT (0.58) ESR1ESR2P4HBTNFRSF1ACYP1B1

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 ESR1 1231/4885ESR2 614/4885P4HB 884/4885

“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.