SCHEMBL5347405

SCHEMBL5347405

C=CCOCCc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.48
ESR2 Q92731 3/20 0.48
CA2 P00918 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
MET P08581 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR3A P46098 1/20 0.42

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
SCHEMBL7307672 0.82 IDO1 (0.46) ESR1ESR2CA2KDM4EALDH1A1
SCHEMBL8389404 0.81 ESR1 (0.65) ESR1ESR2CA2CA12CA1
Hydroquinone SCHEMBL438337 0.81 HSD17B10 (0.42) ESR1ESR2CA2CA12CA1
SCHEMBL13370306 0.81 GFER (0.48) ALDH1A1TDP1NPC1MAPTRAB9A
SCHEMBL1978687 0.81 TAAR1 (0.42) ALDH1A1TAAR1KMT2AIDO1
SCHEMBL10056649 0.81 PPARA (0.35) KMT2A
SCHEMBL574859 0.81 TAAR1 (0.42) TAAR1IDO1SMN1; SMN2
SCHEMBL144596 0.80 MAPT (0.42) CA2CA1CA9ALDH1A1TAAR1
SCHEMBL11125764 0.78 FFAR1 (0.42) TAAR1IDO1MAPT
SCHEMBL10527969 0.77 ESR1 (0.59) ESR1ESR2CA2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7227039-B2 RS 1-{4-[2-(allyloxy)-ethyl]phenoxy}-3-isopropylamino propan-2-ol, process for preparation thereof and process for preparation of RS betaxolol COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-06-05 US claimed
US-20060094903-A1 RS 1-{4-[2-(allyloxy)-ethyl]phenoxy}-3-isopropylamino propan-2-ol, process for preparation thereof and process for preparation of RS betaxolol COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-05-04 US claimed
US-6989465-B1 S-(−)-1-{4-[2-(allyloxy)-ethyl]phenoxy}-3-isopropylamino propan-2-ol, process for preparation thereof and process for preparation of S-(−)betaxolo COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-01-24 US claimed
JP-10168036-A None JP disclosed
CN-101665441-B Method for preparing l-betaxolol hydrochloride ANHUI QINGYUN PHARMACEUTICAL AND CHEMICAL CO LTD 2013-04-10 CN disclosed
CN-101665441-A Method for preparing l-betaxolol hydrochloride ANHUI QINGYUN PHARMACEUTICAL A 2010-03-10 CN disclosed
CN-100532355-C Technique for synthesizing levorotatory betaxolol hydrochloride UNIV ZHENGZHOU (CN) 2009-08-26 CN disclosed
CN-100528832-C Technique of synthesizing levorotatory betaxolol hydrochloride HONGMIN LIU (CN) 2009-08-19 CN disclosed
CN-101085742-A Technique for synthesizing levorotatory betaxolol hydrochloride UNIV ZHENGZHOU (CN) 2007-12-12 CN disclosed
CN-101012175-A Technique of synthesizing levorotatory betaxolol hydrochloride LIU HONGMIN (CN) 2007-08-08 CN disclosed
US-7227039-B2 RS 1-{4-[2-(allyloxy)-ethyl]phenoxy}-3-isopropylamino propan-2-ol, process for preparation thereof and process for preparation of RS betaxolol COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-06-05 US disclosed
US-7227039-B2 RS 1-{4-[2-(allyloxy)-ethyl]phenoxy}-3-isopropylamino propan-2-ol, process for preparation thereof and process for preparation of RS betaxolol COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-06-05 US disclosed
US-7227039-B2 RS 1-{4-[2-(allyloxy)-ethyl]phenoxy}-3-isopropylamino propan-2-ol, process for preparation thereof and process for preparation of RS betaxolol COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-06-05 US disclosed
US-20060094903-A1 RS 1-{4-[2-(allyloxy)-ethyl]phenoxy}-3-isopropylamino propan-2-ol, process for preparation thereof and process for preparation of RS betaxolol COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-05-04 US disclosed
US-6989465-B1 S-(−)-1-{4-[2-(allyloxy)-ethyl]phenoxy}-3-isopropylamino propan-2-ol, process for preparation thereof and process for preparation of S-(−)betaxolo COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-01-24 US disclosed
JP-H10168036-A LIQUID CRYSTAL COMPOUND ASAHI DENKA KOGYO KK 1998-06-23 JP 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-20060094903-A1 RS 1-{4-[2-(allyloxy)-ethyl]phenoxy}-3-isopropylamino propan-2-ol, process for preparation thereof and process for preparation of RS betaxolol ADRB1, ADRB2, ADRA1A ESR1 3216/4885ESR2 447/4885CA2 4080/4885

“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.