SCHEMBL3434728

SCHEMBL3434728

Oc1ccc(CCOCC2CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.49
LMNA P02545 2/20 0.49
CYP2D6 P10635 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
KMT2A Q03164 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
ADRB2 P07550 1/20 0.48
GAA P10253 1/20 0.48
BLM P54132 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
OPRM1 P35372 3/20 0.45
OPRK1 P41145 3/20 0.45
OPRD1 P41143 1/20 0.45
CA2 P00918 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 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
SCHEMBL11248146 0.93 OPRM1 (0.48) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL11244168 0.91 ADRB1 (0.46) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL1422064 0.85 ADRB1 (0.49) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL11248120 0.82 IDO1 (0.45) CYP2C9ESR1ESR2OPRM1OPRK1
SCHEMBL1422359 0.81 ADRB1 (0.49) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL21505015 0.81 ADRB1 (0.49) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL1421994 0.81 ADRB1 (0.46) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL8490584 0.81 SIGMAR1 (0.59) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL1422088 0.80 ADRB1 (0.45) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL8389404 0.80 ESR1 (0.65) LMNAKMT2ASIGMAR1BLMTMEM97

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010147234-A1 DIARYLAMIDE-SPIRODIAMINE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-12-23 WO claimed
WO-2010029566-A2 PROCESS FOR PREPARATION OF PHENOXYPROPANOL AMINES INDOCO REMEDIES LIMITED (IN) 2010-03-18 WO claimed
CN-1300079-C New technology of synthesizing 4-[2-(cyclo propyl methoxy] ethyl] phenol NANJING UNIVERSITY OF TECHNOLOGY (CN) 2007-02-14 CN claimed
US-7019172-B2 Process for preparation of S-(-)-betaxolol and salts thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-03-28 US claimed
US-20060004109-A1 Cyclopropanating 1-(2-allyloxyethyl)-4-benzyloxybenzene by the Simmon-Smith reaction with Furukawa modification to obtain the enantiomer 1-benzyloxy-4-(2-cyclopropyl methoxyethyl)benzene of high purity; avoiding the use of highly lacrymatric and unstable cyclopropylmethyl halide COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-01-05 US claimed
CN-1651379-A New technology of synthesizing 4-[2-(cyclo propyl methoxy] ethyl] phenol NANJING UNIVERSITY OF TECHNOLOGY (CN) 2005-08-10 CN claimed
EP-0931055-B1 SELECTIVE ALKYLATION OF AN ALCOHOL SUBSTITUTED PHENOL COMPOUND ABBOTT LAB (US) 2001-11-07 EP claimed
EP-0931055-A1 SELECTIVE ALKYLATION OF AN ALCOHOL SUBSTITUTED PHENOL COMPOUND Abbott Laboratories (US) 1999-07-28 EP claimed
WO-1998012172-A1 SELECTIVE ALKYLATION OF AN ALCOHOL SUBSTITUTED PHENOL COMPOUND ABBOTT LABORATORIES (US) 1998-03-26 WO claimed
WO-2024042818-A1 LAMINATE AND ORGANIC EL DISPLAY DEVICE 住友化学株式会社 2024-02-29 WO disclosed
WO-2024038667-A1 OPTICAL LAMINATED BODY AND METHOD FOR MANUFACTURING SAME 住友化学株式会社 2024-02-22 WO disclosed
WO-2024024119-A1 OPTICAL LAMINATE 住友化学株式会社 2024-02-01 WO disclosed
WO-2023153098-A1 OPTICAL LAMINATE 住友化学株式会社 2023-08-17 WO disclosed
WO-2023100716-A1 CIRCULARLY POLARIZING PLATE WITH ADHESIVE LAYER 住友化学株式会社 2023-06-08 WO disclosed
US-4652563-A PYRIDAZINONES SUBSTITUTED WITH CYCLOPROPYLMETHOXYETHYL GROUP SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1987-03-24 US disclosed
WO-1986006368-A1 STEREOSELECTIVE PROCESS AND CHIRAL INTERMEDIATES FOR ARYLOXYDROPANOLAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-11-06 WO disclosed
EP-0168921-A2 Chemical compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-01-22 EP disclosed
EP-0045964-A1 Derivatives of 3-amino-1,2-propane diol CIBA-GEIGY AG (CH) 1982-02-17 EP disclosed
US-4311708-A ADRENERGIC BLOCKING AGENTS SYNTHELABO (FR) 1982-01-19 US disclosed
US-4252984-A 1-/P-/2-/CYCLOPROPYLMETHOXY/ETHYL/PHENOXY/-3-ISOPROPYLAMINO-2 -PROPANOL SYNTHELABO (FR) 1981-02-24 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-20060004109-A1 Cyclopropanating 1-(2-allyloxyethyl)-4-benzyloxybenzene by the Simmon-Smith reaction with Furukawa modification to obtain the enantiomer 1-benzyloxy-4-(2-cyclopropyl methoxyethyl)benzene of high purity; avoiding the use of highly lacrymatric and unstable cyclopropylmethyl halide SMAD2, SPHK1, TGFBR1 ADRB1 7/4885LMNA 2697/4885CYP2D6 1755/4885

“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.