SCHEMBL6789736

SCHEMBL6789736

CCCCOC(=O)/C=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.61
CYP1A1 P04798 3/20 0.58
CYP1B1 Q16678 3/20 0.58
MAOB P27338 2/20 0.54
CYP1A2 P05177 1/20 0.54
PPARA Q07869 1/20 0.53
ATM Q13315 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ESR1 P03372 1/20 0.51

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
SCHEMBL6789739 1.00 APP (0.61) APPCYP1A1CYP1B1MAOBCYP1A2
SCHEMBL10810527 0.95 CYP1A1 (0.57) APPCYP1A1CYP1B1MAOBCYP1A2
SCHEMBL10810517 0.95 CYP1A1 (0.57) APPCYP1A1CYP1B1MAOBCYP1A2
SCHEMBL6222426 0.86 APP (0.58) APPCYP1A1CYP1B1ATMESR1
SCHEMBL22882052 0.86 CYP1A2 (0.54) CYP1A1CYP1B1MAOBCYP1A2PPARA
SCHEMBL6222428 0.86 APP (0.58) APPCYP1A1CYP1B1ATMESR1
SCHEMBL1689725 0.85 CA12 (0.67) CYP1A1CYP1B1MAOBCYP1A2
SCHEMBL1689727 0.85 CA12 (0.67) CYP1A1CYP1B1MAOBCYP1A2
SCHEMBL22881930 0.85 HDAC3 (0.50) CYP1A1CYP1B1MAOBCYP1A2PPARA
SCHEMBL22816513 0.85 APP (0.60) APPATMLMNASMN1; SMN2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6784295-B2 CARRIED OUT IN THE PRESENCE OF AN INORGANIC BASE OR ORGANIC NITROGEN BASE AND A PALLADIUM COMPLEX CATALYST CONTAINING SECONDARY MONOPHOSPHINES WITH ALIPHATIC, BRANCHED OR CYCLIC SUBSTITUENTS AS LIGANDS SOLVIAS AG (CH) 2004-08-31 US disclosed
US-20030181688-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds INDOLESE ADRIANO (CH) 2003-09-25 US disclosed
EP-1132361-B1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds SOLVIAS AG (CH) 2003-05-14 EP disclosed
US-6548684-B2 Using monophosphine palladium complex catalyst SOLVIAS AG (SE) 2003-04-15 US disclosed
US-20010037042-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds SOLVIAS AG (CH) 2001-11-01 US disclosed
EP-1132361-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds Solvias AG (CH) 2001-09-12 EP 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-20010037042-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds ADH1C, ALKBH3, PNMT APP 3926/4885CYP1A1 456/4885CYP1B1 455/4885
US-20030181688-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds ADH1C, ALKBH3, PNMT APP 3926/4885CYP1A1 456/4885CYP1B1 455/4885

“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.