SCHEMBL461464

SCHEMBL461464

CC(C)(O)C(C)(C)O.CCCCCOB(O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.37
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
USP2 O75604 1/20 0.34
LPAR3 Q9UBY5 6/20 0.33
LPAR2 Q9HBW0 5/20 0.33
LPAR1 Q92633 2/20 0.33
CES2 O00748 2/20 0.33
NAAA Q02083 1/20 0.33
GBA1 P04062 1/20 0.32
ANPEP P15144 1/20 0.32
EPHX1 P07099 1/20 0.31

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
SCHEMBL29219582 0.93 TSHR (0.34) CES1ANPEP
SCHEMBL170051 0.89
SCHEMBL4861420 0.86 THRB (0.44) CA12CA1CA2CA9HTT
SCHEMBL187351 0.86 THRB (0.44) CA12CA1CA2CA9HTT
SCHEMBL5715855 0.86 THRB (0.44) CA12CA1CA2CA9HTT
SCHEMBL23302194 0.86 THRB (0.44) CA12CA1CA2CA9HTT
Ammonia Solution, Strong SCHEMBL2792661 0.86 CA12 (0.39) CA12CA1CA2CA9HTT
SCHEMBL4190029 0.86 THRB (0.44) CA12CA1CA2CA9HTT
Ammonia Solution, Strong SCHEMBL2792659 0.86 CA12 (0.39) CA12CA1CA2CA9HTT
SCHEMBL2338285 0.86 THRB (0.44) CA12CA1CA2CA9HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813890-A Method for synthesizing conjugated polymer by using Suzuki-Miyaura catalytic polymerization system and application thereof 中国科学院大学 2023-09-29 CN claimed
CN-117924258-A Pyridone compound derivative and application thereof 复旦大学 2024-04-26 CN disclosed
CN-112313208-B Bicyclic carboxamides and methods of use thereof 泰普斯特医疗公司 2024-04-19 CN disclosed
CN-117820094-A Method for coupling organic boron and electrophile with participation of ferric chloride 吉林大学 2024-04-05 CN disclosed
CN-117417373-A Ionic difluoromethyl copper (I) complex, synthesis method and application thereof 中国科学院上海有机化学研究所 2024-01-19 CN disclosed
CN-117157286-A Pyridyl-substituted oxo-isoindoline compounds 百时美施贵宝公司 2023-12-01 CN disclosed
CN-116813890-A Method for synthesizing conjugated polymer by using Suzuki-Miyaura catalytic polymerization system and application thereof 中国科学院大学 2023-09-29 CN disclosed
CN-116813890-A Method for synthesizing conjugated polymer by using Suzuki-Miyaura catalytic polymerization system and application thereof 中国科学院大学 2023-09-29 CN disclosed
CN-116283768-A Preparation method of aryl acridine compound 西安凯翔生物医药科技有限公司 2023-06-23 CN disclosed
CN-115490715-A Method for preparing aryl boronic acid pinacol ester compound by taking phenol as raw material 遵义医科大学 2022-12-20 CN disclosed
CN-113527275-A SKLB1039 compound and preparation method and application thereof 成都师范学院 2021-10-22 CN disclosed
US-20160168151-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-16 US disclosed
US-20150031881-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-01-29 US disclosed
CN-102648174-A Novel arylated camphenes, process for their preparation and their use YISSUM RES DEV CO (IL) 2012-08-22 CN disclosed
US-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-15 US disclosed
US-20090181988-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 US disclosed
US-7429596-B2 1H-pyrrolo [2,3-D] pyrimidine derivatives and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-30 US disclosed
CN-101018552-A Intracellular receptor modulator compounds and methods LIGAND PHARM INC (US) 2007-08-15 CN disclosed
US-20050085472-A1 Pyrazolo pyrimidine derivatives and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-04-21 US disclosed
WO-2005007085-A2 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-01-27 WO 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 (5 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-20050085472-A1 Pyrazolo pyrimidine derivatives and methods of use thereof DPYD, DHODH, DLD CES1 997/4885CA12 4808/4885CA1 4544/4885
US-20160168151-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF DPYD, DHODH, DLD CES1 997/4885CA12 4808/4885CA1 4544/4885
US-20150031881-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF DPYD, DHODH, DLD CES1 997/4885CA12 4808/4885CA1 4544/4885
US-20090181988-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof DPYD, DHODH, DLD CES1 997/4885CA12 4808/4885CA1 4544/4885
US-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof DPYD, DHODH, DLD CES1 997/4885CA12 4808/4885CA1 4544/4885

“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.