SCHEMBL362120

SCHEMBL362120

Cc1cc(C=CC(=O)c2ccc(Br)cc2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 1/20 0.55
▸ PTPN1 P18031 1/20 0.55
▸ ESR1 P03372 1/20 0.54
▸ ESR2 Q92731 1/20 0.54
▸ CXCL12 P48061 1/20 0.53
▸ MAOB P27338 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ MAOA P21397 2/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ KRAS P01116 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ P4HB P07237 1/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ RECQL P46063 1/20 0.49

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
SCHEMBL1390265 0.86 P4HB (0.56) CYP1B1PTPN1ESR1ESR2CXCL12
SCHEMBL17053215 0.85 CYP1A1 (0.58) CYP1B1MAPTRAB9AMEN1ALDH1A1
SCHEMBL17053208 0.85 HDAC3 (0.60) CYP1B1MAOBMAPTNPC1RAB9A
SCHEMBL363825 0.83 CYP1B1 (0.55) CYP1B1PTPN1ESR1ESR2CXCL12
SCHEMBL17053216 0.82 CYP1A1 (0.63) CYP1B1CXCL12MAOBP4HBHDAC1
SCHEMBL1390015 0.79 CYP1B1 (0.70) CYP1B1PTPN1ESR1ESR2MAOB
SCHEMBL362404 0.79 CYP1B1 (0.70) CYP1B1PTPN1ESR1ESR2MAOB
SCHEMBL31574547 0.77 CYP3A4 (0.75) CYP1B1PTPN1ESR1ESR2CXCL12
SCHEMBL17053219 0.77 CYP1A2 (0.61) CYP1B1PTPN1MAOBMAPTMAOA
SCHEMBL17053213 0.77 RELA (0.52) CYP1B1MAOBMAPTMAOANPC1

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 CYP1B1 84/4885PTPN1 1782/4885ESR1 1231/4885

“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.

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