SCHEMBL3530454

SCHEMBL3530454

COC(=O)c1cccc(C(C)C)c1OC

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
GAA P10253 2/20 0.49
ATM Q13315 2/20 0.49
KMT2A Q03164 2/20 0.49
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 3/20 0.44
CFTR P13569 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LPAR1 Q92633 1/20 0.42

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
SCHEMBL7791811 0.84 KDM4E (0.50) KDM4EGAAATMKMT2AKCNK3
SCHEMBL7831533 0.84 KCNK3 (0.46) KDM4EKCNK3KCNK9ALDH1A1HSD17B10
SCHEMBL12545932 0.84 KDM4E (0.45) KDM4EGAAATMKMT2AKCNK3
SCHEMBL254882 0.83 TSHR (0.59) KDM4EGAAATMKMT2AKCNK3
SCHEMBL3511611 0.83 TSHR (0.57) KDM4EGAAATMKMT2ALMNA
SCHEMBL29277714 0.83 KDM4E (0.46) KDM4EKMT2AKCNK3KCNK9LMNA
Hydrogen Peroxide SCHEMBL28473316 0.82 TSHR (0.57) KDM4EGAAATMKMT2AKCNK3
SCHEMBL647215 0.81 CA1 (0.55) KDM4EGAAATMKMT2AKCNK3
SCHEMBL18763821 0.81 KDM4E (0.50) KDM4EGAAATMKMT2AKCNK3
SCHEMBL16957768 0.80 GABRA1 (0.43) KMT2AKCNK3KCNK9LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020163673-A1 INHIBITORS OF ADENYLATE-FORMING ENZYME MENE MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-08-13 WO disclosed
US-7662821-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AG (DE) 2010-02-16 US disclosed
US-7659297-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines Bayer Schering Pharma, AG (DE) 2010-02-09 US disclosed
CN-100581543-C Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG 2010-01-20 CN disclosed
US-7638515-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-29 US disclosed
CN-1889947-A Tetrahydronaphthalene derivatives, process for their preparation and their use as anti-inflammatory agents SCHERING AG (DE) 2007-01-03 CN disclosed
EP-1670458-B1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AG (DE) 2006-12-20 EP disclosed
EP-1670458-A1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-21 EP disclosed
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-08 US disclosed
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-09-22 US disclosed
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-04 US disclosed
WO-2005034939-A1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-21 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 (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-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES KDM4E 3610/4885GAA 3039/4885ATM 4333/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES KDM4E 3612/4885GAA 3349/4885ATM 4346/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES KDM4E 3610/4885GAA 3039/4885ATM 4333/4885

“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.