SCHEMBL4302248

SCHEMBL4302248

N#Cc1ccccc1OC[C@H]1CO1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
GLA P06280 1/20 0.62
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 1/20 0.45
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL3145765 1.00 ALDH1A1 (0.62) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL4098812 1.00 ALDH1A1 (0.62) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL19527551 0.88 ALDH1A1 (0.49) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL19527542 0.87 ALDH1A1 (0.46) ALDH1A1GLASMN1; SMN2KDM4EGAA
SCHEMBL11695226 0.85 ALDH1A1 (0.60) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL22357196 0.83 ALDH1A1 (0.78) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL679937 0.83 ALDH1A1 (0.78) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL1155048 0.83 KDM4E (0.49) ALDH1A1GLASMN1; SMN2KDM4ENPC1
SCHEMBL8707600 0.82 ALDH1A1 (0.50) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL19527607 0.81 SMN1; SMN2 (0.46) ALDH1A1TDP1SMN1; SMN2TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11452712-B2 Methods and compositions involving (S)-bucindolol ARCA BIOPHARMA INC. (US) 2022-09-27 US disclosed
US-20180161309-A1 METHODS AND COMPOSITIONS INVOLVING (S)-BUCINDOLOL ARCA BIOPHARMA, INC. 2018-06-14 US disclosed
US-9763916-B2 Methods and compositions involving (S)-bucindolol ARCA BIOPHARMA, INC. (US) 2017-09-19 US disclosed
US-20170000766-A1 Methods and Compositions Involving (S)-Bucindolol GENVARA BIOPHARMA, INC. 2017-01-05 US disclosed
US-9446023-B2 Methods and compositions involving (S)-bucindolol ARCA BIOPHARMA, INC. (US) 2016-09-20 US disclosed
US-9446023-B2 Methods and compositions involving (S)-bucindolol ARCA BIOPHARMA, INC. (US) 2016-09-20 US disclosed
US-20150190375-A1 METHODS AND COMPOSITIONS INVOLVING (S)-BUCINDOLOL GENVARA BIOPHARMA, INC. 2015-07-09 US disclosed
US-20150190375-A1 METHODS AND COMPOSITIONS INVOLVING (S)-BUCINDOLOL GENVARA BIOPHARMA, INC. 2015-07-09 US disclosed
US-8946284-B2 Methods and compositions involving (S)-bucindolol ARCA BIOPHARMA, INC. (US) 2015-02-03 US disclosed
US-20120108617-A1 METHODS AND COMPOSITIONS INVOLVING (S)-BUCINDOLOL ARCA BIOPHARMA, INC. (US) 2012-05-03 US disclosed
US-6818660-B2 FOR INHIBITING CALCIUM RECEPTOR ACTIVIT; TO STIMULATE SECRETION OF PARATHYROID HORMONE (PTH); FOR BONE FORMATION NPS PHARMACEUTICALS, INC. 2004-11-16 US disclosed
US-6521667-B1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2003-02-18 US disclosed
US-6432656-B1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2002-08-13 US disclosed
US-20020099220-A1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2002-07-25 US disclosed
US-6022894-A Method of using calcilytic compounds NPS PHARMACEUTICALS, INC. (US) 2000-02-08 US disclosed
EP-0901459-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1999-03-17 EP disclosed
WO-1997037967-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1997-10-16 WO disclosed
EP-0116825-B1 NEW ARYLOXYPROPANOLAMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC USE Pierrel S.p.A. (IT) 1987-12-16 EP disclosed
US-4579861-A Aryloxypropanolamine derivatives, pharmaceutical compositions and adrenegic thereof PIERREL S.P.A. (IT) 1986-04-01 US disclosed
EP-0116825-A1 New aryloxypropanolamine derivatives, process for the preparation thereof, pharmaceutical compositions and therapeutic use Pierrel S.p.A. (IT) 1984-08-29 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 (6 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-20180161309-A1 METHODS AND COMPOSITIONS INVOLVING (S)-BUCINDOLOL ADRB3, ADRB2, ADRB1 ALDH1A1 1011/4885GLA 2703/4885TDP1 2218/4885
US-20150190375-A1 METHODS AND COMPOSITIONS INVOLVING (S)-BUCINDOLOL ADRB3, ADRB2, ADRB1 ALDH1A1 1011/4885GLA 2703/4885TDP1 2218/4885
US-20120108617-A1 METHODS AND COMPOSITIONS INVOLVING (S)-BUCINDOLOL ADRB2, ADRB3, ADRB1 ALDH1A1 631/4885GLA 2597/4885TDP1 2193/4885
US-11452712-B2 Methods and compositions involving (S)-bucindolol ADRB3, ADRB2, ADRB1 ALDH1A1 1011/4885GLA 2703/4885TDP1 2218/4885
US-20020099220-A1 Calcilytic compounds CALCR, CASR, CALCRL ALDH1A1 4285/4885GLA 329/4885TDP1 4636/4885
US-20170000766-A1 Methods and Compositions Involving (S)-Bucindolol ADRB3, ADRB2, ADRB1 ALDH1A1 1011/4885GLA 2703/4885TDP1 2218/4885

“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.