SCHEMBL135668

SCHEMBL135668

CC(C)(OC=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 3/20 0.52
ALOX15 P16050 1/20 0.52
TDP1 Q9NUW8 2/20 0.46
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
CYP2A6 P11509 1/20 0.39
KCNN4 O15554 3/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL202261 0.88 MAPK1 (0.43) MAPK1ALDH1A1ALOX15TDP1KMT2A
Tert-Butyl Formate SCHEMBL28259773 0.85 MAPK1 (0.68) MAPK1ALDH1A1ALOX15TDP1KMT2A
SCHEMBL1455254 0.83 ALDH1A1 (0.41) MAPK1ALDH1A1ALOX15TDP1KMT2A
SCHEMBL131979 0.82 TDP1 (0.46) MAPK1ALDH1A1ALOX15TDP1KMT2A
SCHEMBL138151 0.80 TSHR (0.46) MAPK1ALDH1A1ALOX15TDP1KMT2A
SCHEMBL17188542 0.78 ESR1 (0.48) ALDH1A1TDP1KMT2AESR1ESR2
SCHEMBL1456487 0.78 TDP1 (0.42) MAPK1ALDH1A1TDP1MAPTCYP2C19
SCHEMBL4521012 0.77 MAPK1 (0.56) MAPK1ALDH1A1ALOX15KMT2AMAPT
SCHEMBL183490 0.76 KIF11 (0.40) MAPK1ALDH1A1ALOX15TDP1KMT2A
Benzaldehyde SCHEMBL7880119 0.76 ALDH1A1 (0.61) MAPK1ALDH1A1ALOX15TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023151188-A1 GREEN SYNTHESIS METHOD OF ANTIVIRAL DRUG INTERMEDIATE 上海皓元医药股份有限公司 2023-08-17 WO claimed
CN-114671798-B Green synthesis method of antiviral drug intermediate 上海皓元医药股份有限公司 2022-08-16 CN claimed
CN-114671798-A Green synthesis method of antiviral drug intermediate 上海皓元医药股份有限公司 2022-06-28 CN claimed
EP-2788353-B1 CAGE AMINE LIGANDS FOR METALLO-RADIOPHARMACEUTICALS Clarity Pharmaceuticals Ltd (AU) 2022-05-18 EP claimed
CN-113429307-A Preparation method and application of stable isotope labeled glutamic acid and glutamic acid derivative 深圳鼎邦生物科技有限公司 2021-09-24 CN claimed
US-20120214994-A1 (3-FLUORO-2-HYDROXY)PROPYL-FUNCTIONALIZED ARYL DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR THE DIAGNOSIS OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASES FUTURECHEM CO., LTD. (KR) 2012-08-23 US claimed
US-20110021335-A1 SOL-GEL PROCESS WITH A PROTECTED CATALYST DSM IP ASSETS B.V. (NL) 2011-01-27 US claimed
EP-2234929-A1 SOL-GEL PROCESS WITH A PROTECTED CATALYST DSM IP Assets B.V. (NL) 2010-10-06 EP claimed
EP-0840736-B1 IMPROVED SYNTHONS FOR THE SYNTHESIS AND DEPROTECTION OF PEPTIDE NUCLEIC ACIDS UNDER MILD CONDITIONS PERSEPTIVE BIOSYSTEMS INC (US) 2009-10-07 EP claimed
WO-2009077509-A1 SOL-GEL PROCESS WITH A PROTECTED CATALYST DSM IP ASSETS B.V. (NL) 2009-06-25 WO claimed
WO-2001070672-A2 COMPOUNDS AND METHODS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2001-09-27 WO claimed
US-6172226-B1 Synthons for the synthesis and deprotection of peptide nucleic acids under mild conditions PERSEPTIVE BIOSYSTEMS, INC. 2001-01-09 US claimed
US-6133444-A PURINE PEPTIDE NUCLEIC ACIDS SYNTHONS PERSEPTIVE BIOSYSTEMS, INC. (US) 2000-10-17 US claimed
WO-2000040210-A2 TOPICAL COMPOSITIONS COMPRISING PROTECTED FUNCTIONAL THIOLS THE PROCTER & GAMBLE COMPANY (US) 2000-07-13 WO claimed
US-5811475-A REACTING A CARBON WITH A POLYMER HAVING A REACTIVE GROUP AND A HYDROLYZABLE TERT-ALKYL ACRYLIC ESTER; PRINTING INKS; DIELECTRICS; HIGH ELECTRICAL RESISTANCE NIPPON OIL CO., LTD. (JP) 1998-09-22 US claimed
EP-0840736-A1 IMPROVED SYNTHONS FOR THE SYNTHESIS AND DEPROTECTION OF PEPTIDE NUCLEIC ACIDS UNDER MILD CONDITIONS PerSeptive Biosystems, Inc. (US) 1998-05-13 EP claimed
WO-1996040685-A1 IMPROVED SYNTHONS FOR THE SYNTHESIS AND DEPROTECTION OF PEPTIDE NUCLEIC ACIDS UNDER MILD CONDITIONS PERSEPTIVE BIOSYSTEMS, INC. (US) 1996-12-19 WO claimed
US-4826993-A Substituted diazolidinones ELI LILLY AND COMPANY (US) 1989-05-02 US claimed
US-4012345-A POLYPEPTIDES WHICH INHIBIT SECRETION OF GROWTH HORMONE SOMATOTROPIN AMERICAN HOME PRODUCTS CORPORATION (US) 1977-03-15 US claimed
US-3997517-A PEPTIDE AMERICAN HOME PRODUCTS CORPORATION (US) 1976-12-14 US claimed

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-20120214994-A1 (3-FLUORO-2-HYDROXY)PROPYL-FUNCTIONALIZED ARYL DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR THE DIAGNOSIS OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASES APP, FABP7, SLC3A2 MAPK1 2818/4885ALDH1A1 2595/4885ALOX15 1481/4885

“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.