SCHEMBL477614

SCHEMBL477614

OCc1ccccc1-c1cccs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.61
DPP4 P27487 1/20 0.50
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
CYP2A6 P11509 1/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LTK P29376 1/20 0.38
CDK5 Q00535 1/20 0.38
MST1R Q04912 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL3906600 0.85 LTA4H (0.57) LTA4HDPP4MAPTKDM4EALDH1A1
SCHEMBL5477977 0.83 LTA4H (0.47) LTA4HDPP4PDCD1CD274MAPT
SCHEMBL5925309 0.82 LTA4H (0.54) LTA4HDPP4MAPTKDM4EALDH1A1
SCHEMBL11065500 0.82 PDCD1 (0.56) LTA4HDPP4PDCD1CD274MAPT
SCHEMBL20655986 0.82 DPP4 (0.47) LTA4HDPP4MAPTKDM4EALDH1A1
SCHEMBL5925318 0.80 LTA4H (0.53) LTA4HDPP4MAPTKDM4EALDH1A1
SCHEMBL3780733 0.80 LTA4H (0.61) LTA4HDPP4CYP2A6MAPTKDM4E
SCHEMBL20656009 0.80 DPP4 (0.46) LTA4HDPP4MAPTKDM4EALDH1A1
SCHEMBL6028964 0.80 LTA4H (0.61) LTA4HDPP4MAPTKDM4EALDH1A1
SCHEMBL4846964 0.80 LTA4H (0.61) LTA4HDPP4MAPTKDM4EALDH1A1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113387799-A Preparation method of gamma, gamma-diaryl ester or gamma, gamma-triaryl ester compound and product thereof 南京工业大学 2021-09-14 CN claimed
CN-114394922-B Preparation method of N-substituted pyrrolyl aryl propenone compound 河南农业大学 2024-06-11 CN disclosed
CN-114394922-A Preparation method of N-substituted pyrrolyl aryl propenone compound 河南农业大学 2022-04-26 CN disclosed
CN-113387799-B Preparation method of gamma, gamma-diaryl ester or gamma, gamma-triaryl ester compound and product thereof 南京工业大学 2021-12-21 CN disclosed
CN-113387799-A Preparation method of gamma, gamma-diaryl ester or gamma, gamma-triaryl ester compound and product thereof 南京工业大学 2021-09-14 CN disclosed
US-20200165266-A1 RING CLOSURE REACTION FLEXENABLE LIMITED (GB) 2020-05-28 US disclosed
WO-2019011826-A1 RING CLOSURE REACTION MERCK PATENT GMBH (DE) 2019-01-17 WO disclosed
US-8563786-B2 Method for producing optically active alcohol MITSUI CHEMICALS, INC. (JP) 2013-10-22 US disclosed
US-20130225583-A1 SUBSTITUTED AMINO-TRIAZOLYL PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2013-08-29 US disclosed
EP-2629616-A2 SUBSTITUTED AMINO-TRIAZOLYL PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-08-28 EP disclosed
WO-2012054366-A2 SUBSTITUTED AMINO-TRIAZOLYL PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-04-26 WO disclosed
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-12 US disclosed
EP-2412694-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL Mitsui Chemicals, Inc. (JP) 2012-02-01 EP disclosed
EP-0988285-B1 PRODRUG FORMS OF RIBONUCLEOTIDE REDUCTASE INHIBITORS 3-AP AND 3-AMP VION PHARMACEUTICALS INC (US) 2005-11-09 EP disclosed
EP-0988285-A4 PRODRUG FORMS OF RIBONUCLEOTIDE REDUCTASE INHIBITORS 3-AP AND 3-AMP VION PHARMACEUTICALS INC (US) 2000-08-16 EP disclosed
EP-0988285-A1 PRODRUG FORMS OF RIBONUCLEOTIDE REDUCTASE INHIBITORS 3-AP AND 3-AMP Vion Pharmaceuticals, Inc. (US) 2000-03-29 EP disclosed
WO-1998051669-A1 PRODRUG FORMS OF RIBONUCLEOTIDE REDUCTASE INHIBITORS 3-AP AND 3-AMP VION PHARMACEUTICALS, INC. (US) 1998-11-19 WO disclosed
US-5767134-A Prodrug forms of ribonucleotide reductase inhibitors 3-AP and 3-AMP VION PHARMACEUTICALS, INC. (US) 1998-06-16 US 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 (3 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-20200165266-A1 RING CLOSURE REACTION LIG4, ATG7, RNF4 LTA4H 1752/4885DPP4 3055/4885PDCD1 1599/4885
US-20130225583-A1 SUBSTITUTED AMINO-TRIAZOLYL PDE10 INHIBITORS PDE10A, PDE12, PDE4A LTA4H 2126/4885DPP4 268/4885PDCD1 3100/4885
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, FHIT LTA4H 2533/4885DPP4 4214/4885PDCD1 4265/4885

“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.