SCHEMBL12786229

SCHEMBL12786229

c1ccc(C[C@H]2COC(C3=N[C@@H](Cc4ccccc4)CO3)=N2)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.71
NPC1 O15118 1/20 0.71
POLB P06746 1/20 0.71
RAB9A P51151 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
TAAR1 Q96RJ0 6/20 0.69
ALDH1A1 P00352 1/20 0.58
HRH3 Q9Y5N1 1/20 0.53
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL1983682 1.00 MAPT (0.71) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL13283781 0.87 MAPT (0.58) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL14351756 0.87 MAPT (0.72) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL6712559 0.87 MAPT (0.61) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL14154786 0.87 MAPT (0.61) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL15843029 0.87 MAPT (0.61) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL28573138 0.87 MAPT (0.61) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL14448351 0.85 MAPT (0.59) MAPTNPC1POLBRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7176366 0.84 MAPT (0.58) MAPTNPC1POLBRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7176400 0.84 MAPT (0.58) MAPTNPC1POLBRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113045736-B Poly (glycolic acid) for containers and films having reduced gas permeability 美国达克有限责任公司 2024-08-02 CN disclosed
CN-114269982-A Fabric coating composition 惠普发展公司,有限责任合伙企业 2022-04-01 CN disclosed
US-20220024949-A1 CU-AND NI-CATALYZED DECARBOXYLATIVE BORYLATION REACTIONS THE SCRIPPS RESEARCH INSTITUTE 2022-01-27 US disclosed
US-11161859-B2 Cu- and Ni-catalyzed decarboxylative borylation reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2021-11-02 US disclosed
US-20210107859-A1 A PROCESS FOR THE SYNTHESIS OF CARBON LABELED ORGANIC COMPOUNDS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2021-04-15 US disclosed
US-20190031695-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIV OF (US) 2019-01-31 US disclosed
US-20170267707-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2017-09-21 US disclosed
US-20170267707-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2017-09-21 US disclosed
US-8586498-B2 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-11-19 US disclosed
US-8497400-B2 Homogeneous asymmetric hydrogenation process TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-30 US disclosed
US-20110065929-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-17 US disclosed
US-7902110-B2 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-7902110-B2 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20100168440-A1 Homogeneous Asymmetric Hydrogenation Process TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-07-01 US disclosed
US-20100168440-A1 Homogeneous Asymmetric Hydrogenation Process TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-07-01 US disclosed
US-20100137615-A1 Homogeneous Asymmetric Hydrogenation Process TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-06-03 US disclosed
US-20100137615-A1 Homogeneous Asymmetric Hydrogenation Process TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-06-03 US disclosed
US-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-08-13 US disclosed
US-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-08-13 US disclosed
EP-1911516-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2008-04-16 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 (9 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-20100137615-A1 Homogeneous Asymmetric Hydrogenation Process HDHD5, HHAT, HVCN1 MAPT 3297/4885NPC1 1764/4885POLB 2534/4885
US-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst HDHD5, HHAT, HACL2 MAPT 3419/4885NPC1 2029/4885POLB 2492/4885
US-20110065929-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST HDHD5, HHAT, HACL2 MAPT 3419/4885NPC1 2029/4885POLB 2492/4885
US-20170267707-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues NPEPPS, AGPS, PHOSPHO1 MAPT 3670/4885NPC1 1305/4885POLB 1117/4885
US-20210107859-A1 A PROCESS FOR THE SYNTHESIS OF CARBON LABELED ORGANIC COMPOUNDS OTC, MCCC2, CPS1 MAPT 2048/4885NPC1 620/4885POLB 1936/4885
US-20190031695-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues NPEPPS, AGPS, PHOSPHO1 MAPT 3670/4885NPC1 1305/4885POLB 1117/4885
US-20100168440-A1 Homogeneous Asymmetric Hydrogenation Process HDHD5, HHAT, HVCN1 MAPT 3297/4885NPC1 1764/4885POLB 2534/4885
US-11161859-B2 Cu- and Ni-catalyzed decarboxylative borylation reactions PCSK9, LIPA, ACSL3 MAPT 3513/4885NPC1 143/4885POLB 1643/4885
US-20220024949-A1 CU-AND NI-CATALYZED DECARBOXYLATIVE BORYLATION REACTIONS PCSK9, PCSK7, PCSK6 MAPT 3633/4885NPC1 110/4885POLB 1446/4885

“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.