SCHEMBL6383166

SCHEMBL6383166

CCCCCC1(C(=O)O)CC2=C(C1)C(C)(C)CCC2(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.37
AKR1B1 P15121 1/20 0.35
GPR84 Q9NQS5 7/20 0.34
PPARG P37231 7/20 0.34
PPARD Q03181 7/20 0.34
PPARA Q07869 7/20 0.34
HDAC11 Q96DB2 5/20 0.34
TSHR P16473 4/20 0.34
PTPN1 P18031 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TLR2 O60603 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
FABP4 P15090 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34
ALOX15 P16050 1/20 0.34
PDE4A P27815 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6381319 0.98 CETP (0.39) CETPGPR84PPARGPPARDPPARA
SCHEMBL6381906 0.95 CETP (0.37) CETPAKR1B1GPR84PPARGPPARD
SCHEMBL6386232 0.88 CETP (0.33) CETP
SCHEMBL6386119 0.80 FFAR3 (0.34) CETP
SCHEMBL787052 0.78 AKR1B1 (0.41) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL23533401 0.76 GPR84 (0.43) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL2051592 0.76 GPR84 (0.43) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL222063 0.76 GPR84 (0.43) GPR84PPARGPPARDPPARAHDAC11
Hydrochloric Acid SCHEMBL11248003 0.76 AKR1B1 (0.39) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL3493870 0.76 GPR84 (0.43) GPR84PPARGPPARDPPARAHDAC11

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 634/4885AKR1B1 304/4885GPR84 110/4885
US-20050113447-A1 Selective retinoid agonists RARA, RARB, RARG CETP 1857/4885AKR1B1 410/4885GPR84 64/4885

“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.