SCHEMBL4594348

SCHEMBL4594348

O=[N+]([O-])c1cc(C(O)CCl)ccc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.52
CTSL P07711 4/20 0.52
POLB P06746 2/20 0.50
FFAR1 O14842 1/20 0.48
PIN1 Q13526 2/20 0.45
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
ABCB1 P08183 1/20 0.44
CYP19A1 P11511 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL5099246 1.00 CTSV (0.52) CTSVCTSLPOLBFFAR1PIN1
SCHEMBL718147 0.88 CTSV (0.52) CTSVCTSLPOLBFFAR1PIN1
SCHEMBL29897031 0.88 CTSV (0.52) CTSVCTSLPOLBFFAR1PIN1
SCHEMBL718146 0.88 CTSV (0.52) CTSVCTSLPOLBFFAR1PIN1
SCHEMBL29896946 0.88 CTSV (0.52) CTSVCTSLPOLBFFAR1PIN1
SCHEMBL2671920 0.88 CTSV (0.52) CTSVCTSLPOLBFFAR1PIN1
SCHEMBL27755531 0.86 CTSV (0.50) CTSVCTSLPOLBFFAR1PIN1
SCHEMBL28809922 0.86 CTSV (0.50) CTSVCTSLPOLBFFAR1PIN1
SCHEMBL10554925 0.85 CTSV (0.54) CTSVCTSLPOLBFFAR1PIN1
SCHEMBL27481727 0.85 CTSV (0.54) CTSVCTSLPOLBFFAR1PIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423146-B2 Process for the manufacturing of pharmaceutically active 3,1-benzoxazine-2-ones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-09 US disclosed
EP-1948625-A1 PROCESS FOR THE PREPARATION OF BETAMIMETIC BENZOXAZINONE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-30 EP disclosed
WO-2007054484-A1 PROCESS FOR THE PREPARATION OF BETAMIMETIC BENZOXAZINONE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-18 WO disclosed
US-20070112191-A1 Process for the manufacturing of pharmaceutically active compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 US disclosed
CN-1228448-C Process for preparing chiral medicine intermediate (R)-2-halogen-1-(substituted phenyl) ethanol TIANJIN NANKAI GUARD CO LTD (CN) 2005-11-23 CN disclosed
CN-1554767-A Process for preparing chiral medicine intermediate (R)-2-halogen-1-(substituted phenyl) ethanol 天津南开戈德集团有限公司 2004-12-15 CN disclosed
US-6696573-B1 SYNTHESIS OF SUCH AS 2-(N-(2-(9H-CARBAZOL-2-YLOXY)ETHYL))-AMINO-1-((3 -METHYLSULFONYLAMINO)PHENYL)ETHANOL WITH ENHANCED OPTICAL PURITY ASAHI KASEI KABUSHIKI KAISHA (JP) 2004-02-24 US disclosed
US-20030225289-A1 Process for the preparation of tricyclic amino alcohol derivatives ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-12-04 US disclosed
CN-1377342-A Process for preparation of tricyclic amino alcohol derivatives ASAHI CHEMICAL IND (JP) 2002-10-30 CN disclosed
EP-1209150-A1 PROCESSES FOR THE PREPARATION OF TRICYCLIC AMINO ALCOHOL DERIVATIVES Asahi Kasei Kabushiki Kaisha (JP) 2002-05-29 EP 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-20070112191-A1 Process for the manufacturing of pharmaceutically active compounds FIP1L1, TET2, F3 CTSV 1523/4885CTSL 218/4885POLB 3475/4885
US-20030225289-A1 Process for the preparation of tricyclic amino alcohol derivatives ADH1A, ADH1C, OXER1 CTSV 3565/4885CTSL 2274/4885POLB 2448/4885

“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.