SCHEMBL5743833

SCHEMBL5743833

CCOc1cccc(I)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
NQO1 P15559 1/20 0.48
LTA4H P09960 1/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL23907052 0.84 TP53 (0.43) TP53CYP3A4NQO1LTA4HLMNA
1,3-Diethoxybenzene SCHEMBL1100167 0.84 TP53 (0.71) TP53CYP3A4NQO1LTA4HLMNA
SCHEMBL8552100 0.83 KMT2A (0.59) LMNAMAPK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4187873 0.82 TSHR (0.54) LTA4HCYP1A2CYP2C19SMN1; SMN2THRB
SCHEMBL22345190 0.80 APP (0.43) TP53CYP3A4ALDH1A1SMN1; SMN2APP
SCHEMBL21177828 0.80 APP (0.43) TP53CYP3A4ALDH1A1SMN1; SMN2APP
SCHEMBL3657469 0.79 APP (0.46) TP53CYP3A4LMNAMAPK1CYP1A2
SCHEMBL30500239 0.79 APP (0.46) TP53CYP3A4LMNAMAPK1CYP1A2
SCHEMBL25169961 0.79 TSHR (0.65) LTA4HTHRBKMT2ANR1H4TSHR
SCHEMBL25167623 0.79 TSHR (0.65) LTA4HTHRBKMT2ANR1H4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107266410-A A kind of 8 epi puupehedione synthetic method 哈尔滨工业大学(威海) 2017-10-20 CN claimed
CN-106083803-A A kind of synthetic method of marine natural products Puupehedione 哈尔滨工业大学(威海) 2016-11-09 CN claimed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-11518833-B2 Composition, film, near infrared cut filter, laminate, pattern forming method, solid image pickup element, image display device, infrared sensor, and color filter FUJIFILM CORPORATION (JP) 2022-12-06 US disclosed
US-11209582-B2 Composition, curable composition, cured film, near infrared cut filter, infrared transmitting filter, solid image pickup element, infrared sensor, and camera module FUJIFILM CORPORATION (JP) 2021-12-28 US disclosed
US-11118059-B2 Film, film forming method, optical filter, laminate, solid image pickup element, image display device, and infrared sensor FUJIFILM CORPORATION (JP) 2021-09-14 US disclosed
US-20210139708-A1 COMPOSITION, FILM, NEAR INFRARED CUT FILTER, LAMINATE, PATTERN FORMING METHOD, SOLID IMAGE PICKUP ELEMENT, IMAGE DISPLAY DEVICE, INFRARED SENSOR, AND COLOR FILTER FUJIFILM CORPORATION (JP) 2021-05-13 US disclosed
US-10947389-B2 Composition, film, near infrared cut filter, laminate, pattern forming method, solid image pickup element, image display device, infrared sensor, and color filter FUJIFILM CORPORATION (JP) 2021-03-16 US disclosed
EP-3660016-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Holdings Corporation (US) 2020-06-03 EP disclosed
CN-107266410-B Synthesis method of 8-epi-puupehedione 威海创惠环保科技有限公司 2020-01-03 CN disclosed
EP-2655374-B1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORP (US) 2019-10-23 EP disclosed
EP-1626720-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. Lundbeck A/S (DK) 2006-02-22 EP disclosed
WO-2004087156-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2004-10-14 WO disclosed
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0871634-A1 ARTHROPODICIDAL OXAZOLINES AND THIAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-10-21 EP disclosed
US-5760058-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
WO-1997013773-A1 ARTHROPODICIDAL OXAZOLINES AND THIAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-04-17 WO disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 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 (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-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 TP53 4877/4885CYP3A4 2444/4885NQO1 3/4885

“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.