SCHEMBL3247871

SCHEMBL3247871

c1ccc2c(CC3CCCCC3)cccc2c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.58
CYP2D6 P10635 1/20 0.56
BCHE P06276 1/20 0.51
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
EPHX1 P07099 1/20 0.49
SIGMAR1 Q99720 6/20 0.48
SLC18A2 Q05940 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL28926014 0.98 CYP2D6 (0.58) ATMCYP2D6BCHEMEN1ALDH1A1
SCHEMBL3249871 0.90 CYP2D6 (0.61) ATMCYP2D6MEN1ALDH1A1MAPT
SCHEMBL5830749 0.84 BCHE (0.61) ATMBCHENPSR1EPHX1SIGMAR1
SCHEMBL11354054 0.81 CYP2D6 (0.62) ATMCYP2D6MEN1ALDH1A1MAPT
SCHEMBL9529506 0.81 BCHE (0.66) ATMBCHENPSR1EPHX1SIGMAR1
SCHEMBL30449895 0.81 ATM (0.43) ATMCYP2D6BCHEALDH1A1NPSR1
Hydrochloric Acid SCHEMBL16113966 0.80 CYP2D6 (0.60) ATMCYP2D6MEN1ALDH1A1MAPT
SCHEMBL9749544 0.79 GAA (0.53) CYP2D6ALDH1A1MAPTKMT2ACYP1A2
SCHEMBL7738571 0.77 KDM4E (0.49) ATMMEN1ALDH1A1HPGDKMT2A
SCHEMBL7741436 0.77 KDM4E (0.49) ATMMEN1ALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111302880-B Application of iron catalyst in reduction coupling reaction and preparation method of aromatic ring and heterocyclic derivative 川北医学院 2022-09-13 CN claimed
CN-1893916-B Cosmetic and dermatologic oxygen carrier system COTY BV 2010-05-26 CN claimed
CN-111302880-B Application of iron catalyst in reduction coupling reaction and preparation method of aromatic ring and heterocyclic derivative 川北医学院 2022-09-13 CN disclosed
CN-111302880-A Application of iron catalyst in reduction coupling reaction and preparation method of aromatic ring and heterocyclic derivative 川北医学院 2020-06-19 CN disclosed
CN-1893916-B Cosmetic and dermatologic oxygen carrier system COTY BV 2010-05-26 CN disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
CN-1893916-A Cosmetic and dermatologic oxygen carrier system COTY BV (NL) 2007-01-10 CN disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
CN-1058002-C Method for treatment of mixture of hydroperoxide SUMITOMO CHEMICAL CO (JP) 2000-11-01 CN disclosed
US-5639922-A CONTACTING AROMATIC PRIMARY AND TERTIARY HYDROPEROXIDES MIXTURE OBTAINED BY OXIDATION OF ALKYLAROMATIC COMPOUNDS WITH AN ALKALI OR ALKALINE ORGANIC AROMATIC CARBOXYLIC ACID SALT, DECOMPOSING WITH ACID CATALYST FORMING ALKYL PHENOLS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-17 US disclosed
CN-1128754-A Method for treatment of mixture of hydroperoxide SUMITOMO CHEMICAL CO (JP) 1996-08-14 CN disclosed
WO-1994024132-A1 TETRAHYDRO-PYRIDO-INDOLE ELI LILLY AND COMPANY (US) 1994-10-27 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 ATM 225/4885CYP2D6 2600/4885BCHE 535/4885

“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.