SCHEMBL19611588

SCHEMBL19611588

CC(C)(C)P(C1c2ccccc2Oc2ccccc21)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PKM P14618 1/20 0.41
NR3C1 P04150 1/20 0.41
ATM Q13315 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
USP2 O75604 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
HTR2A P28223 4/20 0.37

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
SCHEMBL2545663 0.77 GPR3 (0.41) ATMMEN1KMT2AHDAC3HDAC4
SCHEMBL29162234 0.77 MAOA (0.52) MAOAMAOBATMMEN1KMT2A
SCHEMBL2834111 0.72 MAOA (0.52) MAOAMAOBPKMNR3C1ATM
SCHEMBL29162236 0.72 MAOA (0.47) MAOAMAOBPKMATMMEN1
SCHEMBL115188 0.69 MAOA (0.48) MAOAMAOBATMMEN1KMT2A
SCHEMBL29797921 0.69 MAOA (0.58) MAOAMAOBATMMEN1KMT2A
SCHEMBL436702 0.69 MAOA (0.58) MAOAMAOBATMMEN1KMT2A
SCHEMBL19458502 0.68 MAOA (0.64) MAOAMAOBATMMEN1KMT2A
SCHEMBL16835547 0.66 MAOA (0.61) MAOAMAOBATMMEN1KMT2A
SCHEMBL29056534 0.66 MAOA (0.61) MAOAMAOBATMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117460762-A Polymer for electronic device 杜邦电子公司 2024-01-26 CN claimed
CN-105523916-B Synthesis how the method for appropriate pyrrole smooth intermediate impurities 2- (3,5- bis trifluoromethyl phenyl) propionic acid 中国科学技术大学先进技术研究院 2019-03-19 CN claimed
CN-105601495-B It is a kind of how the synthetic method of the smooth intermediate of appropriate pyrrole 合肥利夫生物科技有限公司 2018-05-29 CN claimed
US-20170334854-A1 One-Step Process For The Synthesis Of Alkylated Metyrapone Analogs W. R. GRACE & CO.-CONN. 2017-11-23 US claimed
CN-105541593-B A kind of synthetic method of pharmaceutical intermediate 合肥利夫生物科技有限公司 2017-07-28 CN claimed
CN-105541594-B It is a kind of how the synthetic method of the smooth intermediate 2 of appropriate pyrrole (3,5 bis trifluoromethyl phenyl) 2 methylpropanoic acids 合肥利夫生物科技有限公司 2017-07-28 CN claimed
CN-101973911-B Method for synthesizing anastrozole intermediate-2,2'-(5-methyl-1,3-phenylene)-bis-(2-methyl propionitrile) USTC UNIV SCIENCE TECH CN 2013-11-06 CN claimed
CN-102001933-B Method for synthesizing naproxen USTC UNIV SCIENCE TECH CN 2013-07-17 CN claimed
CN-102010323-B Method for synthesizing ibuprofen and analogues thereof USTC UNIV SCIENCE TECH CN 2013-02-13 CN claimed
CN-102603527-A Preparation method of functionalized aryl acetate compound USTC UNIV SCIENCE TECH CN 2012-07-25 CN claimed
CN-102452867-A Method for preparing aryl acetonitrile compound USTC UNIV SCIENCE TECH CN 2012-05-16 CN claimed
CN-102285887-A Method for preparing nitro-substituted diphenylmethane and derivative thereof 2011-12-21 CN claimed
CN-102010323-A Method for synthesizing ibuprofen and analogues thereof USTC UNIV SCIENCE TECH CN 2011-04-13 CN claimed
CN-102010317-A Method for synthesizing felbinac and derivatives thereof USTC UNIV SCIENCE TECH CN 2011-04-13 CN claimed
CN-102001933-A Method for synthesizing naproxen USTC UNIV SCIENCE TECH CN 2011-04-06 CN claimed
CN-101973911-A Method for synthesizing anastrozole intermediate-2,2'-(5-methyl-1,3-phenylene)-bis-(2-methyl propionitrile) USTC UNIV SCIENCE TECH CN 2011-02-16 CN claimed
CN-101973869-A Method for synthesis of flurbiprofen USTC UNIV SCIENCE TECH CN 2011-02-16 CN claimed
CN-101863826-A Method for preparing 2-benzyl pyridine compound USTC UNIV SCIENCE TECH CN 2010-10-20 CN claimed
CN-117460762-A Polymer for electronic device 杜邦电子公司 2024-01-26 CN disclosed
CN-101863826-A Method for preparing 2-benzyl pyridine compound USTC UNIV SCIENCE TECH CN 2010-10-20 CN 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-20170334854-A1 One-Step Process For The Synthesis Of Alkylated Metyrapone Analogs MET, MEP1B, ABL1 MAOA 720/4885MAOB 461/4885PKM 1823/4885

“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.