SCHEMBL6386232

SCHEMBL6386232

CCCC1(C(=O)O)CC2=C(C1)C(C)(C)CCC2(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.33
FFAR3 O14843 1/20 0.32
POLB P06746 1/20 0.31
CPB2 Q96IY4 1/20 0.31
CYP2C19 P33261 1/20 0.31
RXRA P19793 1/20 0.30

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
SCHEMBL6381906 0.89 CETP (0.37) CETPCPB2
SCHEMBL6383166 0.88 CETP (0.37) CETP
SCHEMBL6381319 0.86 CETP (0.39) CETP
SCHEMBL6386119 0.85 FFAR3 (0.34) CETPFFAR3CYP2C19RXRA
SCHEMBL6382992 0.76 HDAC1 (0.33) FFAR3
SCHEMBL14127769 0.76 CETP (0.33) CETPPOLBCPB2CYP2C19
SCHEMBL3153596 0.75
SCHEMBL8376359 0.75 CPB2 (0.30) CPB2
Hydrochloric Acid SCHEMBL11613521 0.73 CYP2C19 (0.38) CETPFFAR3CPB2CYP2C19
SCHEMBL4277564 0.71 CYP2C19 (0.52) CETPFFAR3CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113447-A1 Selective retinoid agonists BELLONI PAULA N (US) 2005-05-26 US disclosed
US-6828337-B2 Bicyclic retinods containing ester or acid group; useful for treating emphysema HOFFMANN-LA ROCHE INC. 2004-12-07 US disclosed
EP-1206436-B1 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA HOFFMANN LA ROCHE (CH) 2004-10-13 EP disclosed
US-20030176726-A1 Bicyclic retinods containing ester or acid group; useful for treating emphysema HOFFMANN-LA ROCHE INC. 2003-09-18 US disclosed
US-6528677-B1 Such as 4-(4,4,7,7-tetramethyl-2-pentyl-2,3,4,5,6,7-hexa-hydro-1H-indene-2 -ylethynyl)-benzoic acid; emphysema HOFFMANN-LA ROCHE INC. 2003-03-04 US disclosed
EP-1206436-A2 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA F. HOFFMANN-LA ROCHE AG (CH) 2002-05-22 EP disclosed
WO-2001009076-A2 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA F. HOFFMANN-LA ROCHE AG (CH) 2001-02-08 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 (2 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-20030176726-A1 Bicyclic retinods containing ester or acid group; useful for treating emphysema RARG, RXRA, RXRG CETP 634/4885FFAR3 136/4885POLB 1451/4885
US-20050113447-A1 Selective retinoid agonists RARA, RARB, RARG CETP 1857/4885FFAR3 53/4885POLB 3244/4885

“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.