SCHEMBL641904

SCHEMBL641904

CCCCCCCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 1.00
TP53 P04637 1/20 0.90
TSHR P16473 1/20 0.90
PLA2G4B P0C869 8/20 0.88
PLA2G4A P47712 1/20 0.78
PTPN11 Q06124 2/20 0.71
HTT P42858 1/20 0.68
PLA2G2A P14555 1/20 0.64

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
SCHEMBL2354189 1.00 RARB (1.00) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL7172427 1.00 RARB (1.00) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL8535621 1.00 RARB (1.00) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL8300827 1.00 RARB (1.00) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL8943017 1.00 RARB (1.00) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL8532269 1.00 RARB (1.00) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL4185457 1.00 RARB (1.00) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL5828640 1.00 RARB (1.00) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL5858775 1.00 RARB (1.00) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL2038307 1.00 RARB (1.00) RARBTP53TSHRPLA2G4BPLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057173-B1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2014-02-26 EP claimed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US claimed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 US claimed
EP-2057173-A1 AMIDES AS SPHINGOMYELINE INHIBITORS Novartis AG (CH) 2009-05-13 EP claimed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 WO claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
US-6398857-B1 ACCUSTIC PIEZOELECTRIC; HOT MELT INK JET PRINTING; BENZOIC ACID VEHICLE; ALKYL OR PHENYL CARBOXYLIC ACID VISCOSITY MODIFIER; RETAINS DESIRED HARDNESS XEROX CORPORATION 2002-06-04 US claimed
US-6395077-B1 INKS WITH BENZOYLBENZOIC ACID AND COLORS XEROX CORPORATION 2002-05-28 US claimed
EP-0579770-B1 MACROCYCLIC LACTAM PROKINETIC AGENTS ABBOTT LAB (US) 1996-06-26 EP claimed
EP-0327349-B1 Liquid crystal compounds SHOWA SHELL SEKIYU (JP) 1996-04-10 EP claimed
JP-2202851-A None JP disclosed
JP-1258663-A None JP disclosed
US-4136053-A BIPHENYL ESTERS AND LIQUID CRYSTALLINE MIXTURES COMPRISING THEM MERCK PATENT GESELLSCHAFT MIT BESCHANKTER HAFTUNG (DE) 1979-01-23 US disclosed
US-4065489-A Biphenyl esters and liquid crystalline mixtures comprising them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-12-27 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-20100022482-A1 aSMase inhibitors SMPD1, SMPD3, SMPD2 RARB 4739/4885TP53 4791/4885TSHR 2541/4885
US-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 RARB 316/4885TP53 548/4885TSHR 2894/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 RARB 857/4885TP53 499/4885TSHR 4082/4885

“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.