SCHEMBL3818138

SCHEMBL3818138

COc1c(O)ccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
PTPN22 Q9Y2R2 1/20 0.54
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.50
ERN1 O75460 1/20 0.49
MAPT P10636 4/20 0.48
CYP1A2 P05177 3/20 0.48
HSD17B10 Q99714 2/20 0.48
USP2 O75604 1/20 0.48
PAK1 Q13153 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
GAA P10253 2/20 0.46
CYP1A1 P04798 1/20 0.46

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
Formic Acid SCHEMBL28767146 0.91 ERN1 (0.54) ESR1ESR2PTPN22ALDH1A1POLB
SCHEMBL11504661 0.90 HPRT1 (0.52) ESR1ESR2PTPN22ALDH1A1KDM4E
SCHEMBL15476424 0.86 ALDH1A1 (0.50) ESR1ESR2PTPN22ALDH1A1KDM4E
SCHEMBL10236585 0.84 PTPN22 (0.50) PTPN22ALDH1A1KDM4EPOLBERN1
SCHEMBL70005 0.83 PTPN22 (0.58) PTPN22ALDH1A1KDM4EPOLBERN1
SCHEMBL12486732 0.82 ESR1 (0.54) ESR1ESR2ALDH1A1KDM4EMAPK1
SCHEMBL31570914 0.82 ESR1 (0.54) ESR1ESR2ALDH1A1KDM4EMAPK1
SCHEMBL28372416 0.80 CYP1A2 (0.44) PTPN22ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL7595465 0.79 ALOX5 (0.54) PTPN22ALDH1A1KDM4EPOLBMAPT
SCHEMBL16082559 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EMAPK1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701608-B2 Process for the synthesis of 7-methoxy-naphthalene-1-carbaldehyde and application in the synthesis of agomelatine LES LABORATORIES SERVIER (FR) 2017-07-11 US claimed
US-20160304429-A1 PROCESS FOR THE SYNTHESIS OF 7-METHOXY-NAPHTHALENE-1-CARBALDEHYDE AND APPLICATION IN THE SYNTHESIS OF AGOMELATINE LES LABORATOIRES SERVIER (FR) 2016-10-20 US claimed
US-5182213-A Coupling a Phenylenediamine and a Naphthol MILES INC. (US) 1993-01-26 US claimed
EP-0504663-A1 Peroxidase indicator system for basic media Bayer Corporation (US) 1992-09-23 EP claimed
US-4533766-A Process for the production of dihydroxybenzenes DEGUSSA AKTIENGESELLSCHAFT (DE) 1985-08-06 US claimed
CN-112088198-B Treatment agent for 6-valent chromium, method for treating pollutant containing 6-valent chromium, and method for treating bone ash containing 6-valent chromium 西铁城时计株式会社 2023-10-03 CN disclosed
CN-106536518-B Anthelmintic compounds 勃林格殷格翰动物保健美国公司 2020-05-12 CN disclosed
US-7553963-B2 Liquid partially trimerized and allophanized polyisocyanates based on toluene diisocyanate and diphenylmethane diisocyanate BAYER MATERIALSCIENCE LLC (US) 2009-06-30 US disclosed
EP-1715839-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN, COMPRISING HETEROCYCLIC ENAMINES AND REACTIVE CARBONYL COMPOUNDS AND/OR REACTION PRODUCTS THEREOF Henkel Kommanditgesellschaft auf Aktien (DE) 2006-11-02 EP disclosed
EP-1682595-A1 LIQUID PARTIALLY TRIMERIZED AND ALLOPHANIZED POLYISOCYANATES BASED ON TOLUENE DIISOCYANATE AND DIPHENYLMETHANE DIISOCYANATE Bayer MaterialScience LLC (US) 2006-07-26 EP disclosed
WO-2005063178-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN, COMPRISING HETEROCYCLIC ENAMINES AND REACTIVE CARBONYL COMPOUNDS AND/OR REACTION PRODUCTS THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-07-14 WO disclosed
WO-2005044886-A1 LIQUID PARTIALLY TRIMERIZED AND ALLOPHANIZED POLYISOCYANATES BASED ON TOLUENE DIISOCYANATE AND DIPHENYLMETHANE DIISOCYANATE BAYER MATERIALSCIENCE LLC (US) 2005-05-19 WO disclosed
US-20050096449-A1 Liquid partially trimerized and allophanized polyisocyanates based on toluene diisocyanate and diphenylmethane diisocyanate BAYER MATERIALSCIENCE LLC 2005-05-05 US disclosed
US-6127308-A Trimer catalyst system for aliphatic and aromatic isocyanates BAYER CORPORATION (US) 2000-10-03 US disclosed
US-6063891-A PREPOLYMER OF ALLOPHANATE-MODIFIED, PARTIALLY TRIMERIZED TOLUENE DIISOCYANATE AND ISOCYANATE-REACTIVE POLYOL BAYER CORPORATION (US) 2000-05-16 US disclosed
US-6028158-A Freeze-stable allophanate-modified toluene diisocyanate trimers BAYER CORPORATION (US) 2000-02-22 US disclosed
US-5955609-A Trimer catalyst system for aliphatic and aromatic isocyanates BAYER CORPORATION (US) 1999-09-21 US disclosed
US-5864406-A Method and apparatus for forming halftone images on organic-silver-salt-based printing plates CANON KABUSHIKI KAISHA (JP) 1999-01-26 US disclosed
US-5182213-A Coupling a Phenylenediamine and a Naphthol MILES INC. (US) 1993-01-26 US disclosed
EP-0504663-A1 Peroxidase indicator system for basic media Bayer Corporation (US) 1992-09-23 EP 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-20160304429-A1 PROCESS FOR THE SYNTHESIS OF 7-METHOXY-NAPHTHALENE-1-CARBALDEHYDE AND APPLICATION IN THE SYNTHESIS OF AGOMELATINE COMT, TPH1, TPH2 ESR1 4184/4885ESR2 3921/4885PTPN22 4739/4885

“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.