SCHEMBL4854685

SCHEMBL4854685

NOCC(O)COc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.57
LMNA P02545 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
ADRB3 P13945 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.51
HIF1A Q16665 1/20 0.51
RECQL P46063 1/20 0.51
SCN4A P35499 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
MAOA P21397 1/20 0.47
PTGS1 P23219 1/20 0.47

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
Hydrochloric Acid SCHEMBL11141936 0.98 L3MBTL1 (0.57) CYP2D6LMNAL3MBTL1ADRB2ADRB1
SCHEMBL267463 0.89 LMNA (0.68) CYP2D6LMNAL3MBTL1ADRB2ADRB1
SCHEMBL11400908 0.83 LMNA (0.61) CYP2D6LMNAL3MBTL1ADRB2ADRB1
SCHEMBL2021875 0.82 L3MBTL1 (0.61) CYP2D6LMNAL3MBTL1ADRB2ADRB1
SCHEMBL10072400 0.82 TSHR (0.61) CYP2D6LMNAL3MBTL1ADRB2ADRB1
SCHEMBL4019175 0.82 L3MBTL1 (0.61) CYP2D6LMNAL3MBTL1ADRB2ADRB1
SCHEMBL5878404 0.82 L3MBTL1 (0.61) CYP2D6LMNAL3MBTL1ADRB2ADRB1
SCHEMBL14546274 0.82 LMNA (0.59) CYP2D6LMNAL3MBTL1ADRB2ADRB1
SCHEMBL11142998 0.81 POLB (0.54) LMNAL3MBTL1ADRB3KDM4EMAPT
SCHEMBL11140249 0.81 CYP1A2 (0.66) LMNAMAPTTSHRSCN4AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630057-B1 PERFUMES IN THE FORM OF AQUEOUS MICROEMULSIONS CHANEL PARFUMS BEAUTE (FR) 2021-08-18 EP disclosed
EP-1301472-B1 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER LAMBERT CO (US) 2014-03-26 EP disclosed
EP-1301472-B1 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER LAMBERT CO (US) 2014-03-26 EP disclosed
US-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 US disclosed
US-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 US disclosed
US-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 US disclosed
US-6960614-B2 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2005-11-01 US disclosed
US-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2005-08-11 US disclosed
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2004-03-18 US disclosed
EP-1301472-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2003-04-16 EP disclosed
WO-2002006213-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-01-24 WO disclosed
US-4404384-A HYPOTENSIVE, ANTISPASMODIC, CHOLERETIC AGENTS; ANTICONUULSANTS; ANTIPYRETICS; ANTHELMINTICS; FUNGICIDWS HOECHST AKTIENGESELLSCHAFT (DE) 1983-09-13 US disclosed
US-4150043-A 0-(2,3-Epoxypropyl)-hydroximic acid esters HOECHST AKTIENGESELLSCHAFT (DE) 1979-04-17 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 (2 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-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids CYP4X1, CYP2A7, CYP4B1 CYP2D6 23/4885LMNA 2385/4885L3MBTL1 4459/4885
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids CYP4X1, ALOX5, HAAO CYP2D6 32/4885LMNA 621/4885L3MBTL1 3825/4885

“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.