SCHEMBL5351520

SCHEMBL5351520

C=CCOCCc1ccc(OC(C)(C)NCC(C)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.36
▸ ADRB1 P08588 4/20 0.36
▸ ADRB3 P13945 4/20 0.36
▸ ADRB2 P07550 3/20 0.36
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ CYP2J2 P51589 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35

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
SCHEMBL5351518 0.78 CYP2D6 (0.36) CYP2D6ADRB1ADRB3ADRB2LMNA
SCHEMBL11299253 0.74 PTGS1 (0.43) ADRB1ADRB3ADRB2MEN1CYP2C9
SCHEMBL5852432 0.72 CYP2D6 (0.73) CYP2D6ADRB1ADRB2LMNAMEN1
SCHEMBL5351511 0.72 CYP2D6 (0.73) CYP2D6ADRB1ADRB2LMNAMEN1
SCHEMBL5347405 0.67 ESR1 (0.48) KMT2ABLMTMEM97SIGMAR1
SCHEMBL14484198 0.67 MEN1 (0.46) CYP2D6ADRB1ADRB3ADRB2LMNA
SCHEMBL574859 0.64 TAAR1 (0.42) —
SCHEMBL1978687 0.64 TAAR1 (0.42) MEN1KMT2APPARDPPARA
SCHEMBL10056649 0.64 PPARA (0.35) MEN1KMT2APPARGPPARDPPARA
SCHEMBL13370306 0.64 GFER (0.48) —

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 8 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-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-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-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

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 CYP2D6 521/4885ADRB1 1/4885ADRB3 7/4885

“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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