SCHEMBL3535671

SCHEMBL3535671

CCC(C(=O)C(=O)O)C(C)(C)c1ccc(Cl)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
KMO O15229 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
ACACB O00763 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3535083 0.85 PPARG (0.37) LMNA
SCHEMBL3535437 0.75 AKR1C3 (0.36) CYP2C19ALDH1A1MEN1KMT2AMAPT
SCHEMBL3537135 0.74 PPARA (0.42) ALDH1A1MEN1KMT2AAKR1C3AKR1C2
SCHEMBL602672 0.73 AKR1C3 (0.47) CYP2C19ALDH1A1MAPTKDM4ELMNA
SCHEMBL3537446 0.73 KMT2A (0.43) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL3534257 0.73 KDM4E (0.41) ALDH1A1KDM4EGAALMNASMN1; SMN2
SCHEMBL3531877 0.72 PSEN1 (0.39) CYP2C19ALDH1A1MAPTKDM4EGAA
SCHEMBL3534895 0.72 ALDH1A1 (0.37) CYP2C19ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3531871 0.72 PSEN1 (0.39) CYP2C19ALDH1A1MAPTKDM4EGAA
SCHEMBL3550818 0.71 CTSA (0.35) CYP2C19ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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 CYP2C19 271/4885ALDH1A1 511/4885MEN1 4050/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES CYP2C19 195/4885ALDH1A1 280/4885MEN1 2555/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES CYP2C19 271/4885ALDH1A1 511/4885MEN1 4050/4885

“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.