SCHEMBL3287709

SCHEMBL3287709

c1ccc(COc2ccc(OC[C@H]3CO3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.73
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 4/20 0.56
HIF1A Q16665 3/20 0.56
TP53 P04637 3/20 0.56
TSHR P16473 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP3A4 P08684 1/20 0.56
LMNA P02545 2/20 0.55
CYP1A2 P05177 2/20 0.55
PTGS1 P23219 1/20 0.55
SLC6A2 P23975 1/20 0.55
CYP2C19 P33261 1/20 0.55
PTGS2 P35354 1/20 0.55
SLC6A3 Q01959 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
MAOB P27338 3/20 0.54
MAPT P10636 3/20 0.54
HPGD P15428 2/20 0.54

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
SCHEMBL1228699 1.00 TDP1 (0.73) TDP1MEN1KMT2AALDH1A1HIF1A
SCHEMBL1351514 1.00 TDP1 (0.73) TDP1MEN1KMT2AALDH1A1HIF1A
SCHEMBL7693412 0.98 TDP1 (0.71) TDP1MEN1KMT2AALDH1A1HIF1A
SCHEMBL7693411 0.97 TDP1 (0.69) TDP1MEN1KMT2AALDH1A1HIF1A
SCHEMBL10024632 0.92 TDP1 (0.66) TDP1MEN1KMT2AALDH1A1HIF1A
SCHEMBL5634061 0.91 TDP1 (0.63) TDP1MEN1KMT2AALDH1A1HIF1A
SCHEMBL7999229 0.89 ALDH1A1 (0.75) TDP1MEN1KMT2AALDH1A1HIF1A
SCHEMBL1228760 0.89 TDP1 (0.57) TDP1MEN1KMT2AHIF1ASMN1; SMN2
SCHEMBL7838634 0.89 ALDH1A1 (0.75) TDP1MEN1KMT2AALDH1A1HIF1A
SCHEMBL7113340 0.89 ALDH1A1 (0.75) TDP1MEN1KMT2AALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9849134-B2 Method of improving cognition and social behavior in humans having deficits therein due to neurodegenerative disorders and compounds and compositions therefor THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-12-26 US disclosed
US-9849134-B2 Method of improving cognition and social behavior in humans having deficits therein due to neurodegenerative disorders and compounds and compositions therefor THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-12-26 US disclosed
US-9849134-B2 Method of improving cognition and social behavior in humans having deficits therein due to neurodegenerative disorders and compounds and compositions therefor THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-12-26 US disclosed
EP-3122350-A2 METHOD OF IMPROVING COGNITION AND SOCIAL BEHAVIOR IN HUMANS HAVING DEFICITS THEREIN DUE TO NEUROLOGICAL DISORDERS AND COMPOUNDS AND COMPOSITIONS THEREFOR The Board of Trustees of The Leland Stanford Junior University (US) 2017-02-01 EP disclosed
US-20160184315-A1 METHOD OF IMPROVING COGNITION AND SOCIAL BEHAVIOR IN HUMANS HAVING DEFICITS THEREIN DUE TO NEURODEGENERATIVE DISORDERS AND COMPOUNDS AND COMPOSITIONS THEREFOR THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-06-30 US disclosed
US-20160184315-A1 METHOD OF IMPROVING COGNITION AND SOCIAL BEHAVIOR IN HUMANS HAVING DEFICITS THEREIN DUE TO NEURODEGENERATIVE DISORDERS AND COMPOUNDS AND COMPOSITIONS THEREFOR THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-06-30 US disclosed
US-20160184315-A1 METHOD OF IMPROVING COGNITION AND SOCIAL BEHAVIOR IN HUMANS HAVING DEFICITS THEREIN DUE TO NEURODEGENERATIVE DISORDERS AND COMPOUNDS AND COMPOSITIONS THEREFOR THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-06-30 US disclosed
WO-2015126915-A2 METHOD OF IMPROVING COGNITION AND SOCIAL BEHAVIOR IN HUMANS HAVING DEFICITS THEREIN DUE TO NEUROLOGICAL DISORDERS AND COMPOUNDS AND COMPOSITIONS THEREFOR THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-08-27 WO disclosed
WO-2015126915-A2 METHOD OF IMPROVING COGNITION AND SOCIAL BEHAVIOR IN HUMANS HAVING DEFICITS THEREIN DUE TO NEUROLOGICAL DISORDERS AND COMPOUNDS AND COMPOSITIONS THEREFOR THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-08-27 WO disclosed
US-7718646-B2 Cyclohexyl(alkyl)propanolamines, preparation method and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2010-05-18 US disclosed
US-4336382-A ADRENERGIC BLOCKING AGENTS HOFFMANN-LA ROCHE INC. (US) 1982-06-22 US disclosed
US-4329289-A Adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1982-05-11 US disclosed
US-4314085-A Intermediates for preparing adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1982-02-02 US disclosed
US-4304721-A Adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1981-12-08 US disclosed
US-4301300-A ADRENERGIC BLOCKING AGENTS HOFFMANN-LA ROCHE INC. (US) 1981-11-17 US disclosed
US-4285873-A ANTIANDROGENS HOFFMANN-LA ROCHE INC. (US) 1981-08-25 US disclosed
US-4278608-A Adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1981-07-14 US disclosed
US-4247710-A THE 3'-HYDROXY, -BENZYLOXY, OR -HALO DERIVATIVES OF METHYL 4-((2'-HYDROXYPROPYL)OXY)PHENYLACETATE HOFFMANN-LA ROCHE INC. (US) 1981-01-27 US disclosed
US-4202978-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE, ANTISECRETORY, SPASMOLYTIC HOFFMANN-LA ROCHE INC. (US) 1980-05-13 US disclosed
EP-0005142-A1 Phenylpiperazine derivatives, process for their preparation, intermediates for this purpose and medicaments containing such phenylpiperazine derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-11-14 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 (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-20160184315-A1 METHOD OF IMPROVING COGNITION AND SOCIAL BEHAVIOR IN HUMANS HAVING DEFICITS THEREIN DUE TO NEURODEGENERATIVE DISORDERS AND COMPOUNDS AND COMPOSITIONS THEREFOR ADRA1B, ADRB1, ADRA1A TDP1 374/4885MEN1 2918/4885KMT2A 4250/4885

“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.