SCHEMBL3550818

SCHEMBL3550818

CCC(C(C)(C)c1ccc(Cl)c(OC)c1)C(O[Si](C)(C)C)(C(=O)O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSA P10619 6/20 0.35
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
CCR1 P32246 1/20 0.33
CYP2C19 P33261 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMO O15229 1/20 0.32
MC4R P32245 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL3535437 0.82 AKR1C3 (0.36) AKR1C3AKR1C2CCR1CYP2C19MAPT
SCHEMBL3531437 0.81 AKR1C3 (0.37) CTSAAKR1C3AKR1C2MEN1KMT2A
SCHEMBL3550814 0.73 CNR2 (0.36) CTSACCR1CYP2C19HCRTR1HCRTR2
SCHEMBL3535671 0.71 CYP2C19 (0.39) AKR1C3AKR1C2CYP2C19MAPTMEN1
SCHEMBL3550812 0.70 CNR2 (0.44) HCRTR1HCRTR2MAPTALDH1A1CYP1A2
SCHEMBL602672 0.68 AKR1C3 (0.47) AKR1C3AKR1C2CYP2C19MAPTALDH1A1
SCHEMBL3537135 0.66 PPARA (0.42) AKR1C3AKR1C2MEN1ALDH1A1KMT2A
SCHEMBL3535434 0.66 L3MBTL1 (0.36) CYP2C19HCRTR1HCRTR2MAPTMEN1
SCHEMBL21501405 0.66 MAPT (0.43) CYP2C19MAPTMEN1ALDH1A1KMT2A
SCHEMBL21501283 0.64 CNR2 (0.49) CYP2C19HCRTR1HCRTR2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES CTSA 2086/4885AKR1C3 290/4885AKR1C2 427/4885

“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.