SCHEMBL1724898

SCHEMBL1724898

C=CCOC(=O)c1ccc(I)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.58
CYP3A4 P08684 1/20 0.55
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TPMT P51580 1/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
RHOA P61586 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41

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
SCHEMBL175786 0.90 SNCA (0.67) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL461801 0.85 SNCA (0.61) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL17386391 0.85 SNCA (0.61) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL31182 0.83 SNCA (0.59) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL5675836 0.83 SNCA (0.59) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL175787 0.83 SNCA (0.59) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL2705494 0.81 SNCA (0.58) SNCACYP3A4ALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL9285006 0.81 SNCA (0.58) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL9270334 0.81 SNCA (0.58) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL1882104 0.81 SNCA (0.58) SNCACYP3A4ALDH1A1TSHRHSD17B10

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004611-A1 PROCESS FOR PREPARING RETINOID COMPOUNDS F. Hoffmann-La Roche AG (CH) 2008-12-24 EP claimed
WO-2007113122-A1 PROCESS FOR PREPARING RETINOID COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-11 WO claimed
US-20070232810-A1 Process for preparing retinoid compounds ROCHE PALO ALTO LLC 2007-10-04 US claimed
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 EP disclosed
US-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 US disclosed
US-8034960-B2 Process for the synthesis C-2, C-3 substituted N-alkylated indoles useful as cPLA2 inhibitors PFIZER INC. (US) 2011-10-11 US disclosed
EP-1778629-B1 PROCESS FOR THE SYNTHESIS C-2, C-3 SUBSTITUTED N-ALKYLATED INDOLES USEFUL AS CPLA2 INHIBITORS WYETH LLC (US) 2011-07-20 EP disclosed
US-20110054189-A1 Process For The Synthesis C-2, C-3 Substituted N-Alkylated Indoles Useful As CPLA2 Inhibitors WYETH LLC 2011-03-03 US disclosed
US-7842837-B2 Process for the synthesis of C-2, C-3 substituted N-alkylated indoles useful as cPLA2 inhibitors WYETH LLC (US) 2010-11-30 US disclosed
US-20090306428-A1 Process for the Synthesis of C-2, C-3 Substituted N-Alkylated Indoles Useful as cPLA2 Inhibitors WYETH LLC 2009-12-10 US disclosed
US-7582772-B2 Process for the synthesis C-2, C-3 substituted N-alkylated indoles useful as CPLA2 inhibitors WYETH (US) 2009-09-01 US disclosed
EP-1390340-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-25 EP disclosed
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US disclosed
EP-1212316-B1 BENZOPYRANS AND BENZOTHIOPYRANS AS RAR SELECTIVE RETINOID AGONISTS HOFFMANN LA ROCHE (CH) 2003-10-15 EP disclosed
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 US disclosed
US-6479670-B1 Selective retinoid acid receptor agonists HOFFMANN-LA ROCHE INC. 2002-11-12 US disclosed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 WO disclosed
EP-1212316-A2 BENZOPYRANS AND BENZOTHIOPYRANS AS RAR SELECTIVE RETINOID AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-12 EP disclosed
WO-2001014360-A2 BENZOPYRANS AND BENZOTHIOPYRANS AS RAR SELECTIVE RETINOID AGONISTS F. HOFFMAN-LA ROCHE AG (CH) 2001-03-01 WO disclosed
US-4644025-A Lens materials of high refractive indexes KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-02-17 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 (5 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-20110054189-A1 Process For The Synthesis C-2, C-3 Substituted N-Alkylated Indoles Useful As CPLA2 Inhibitors PLA2G4A, PLA2G4B, PLA2G1B SNCA 3573/4885CYP3A4 607/4885ALDH1A1 2632/4885
US-20090306428-A1 Process for the Synthesis of C-2, C-3 Substituted N-Alkylated Indoles Useful as cPLA2 Inhibitors PLA2G4A, PLA2G12A, PLA2R1 SNCA 4043/4885CYP3A4 353/4885ALDH1A1 1722/4885
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 SNCA 1224/4885CYP3A4 184/4885ALDH1A1 26/4885
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 SNCA 1224/4885CYP3A4 184/4885ALDH1A1 26/4885
US-20070232810-A1 Process for preparing retinoid compounds RARB, RARG, RARA SNCA 4568/4885CYP3A4 252/4885ALDH1A1 138/4885

“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.